Browse
Submit Data
Databases
API
Help

Dataset Information

7 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 6-azido-6-de-oxy-?-d-galactoside.

ABSTRACT: The structure of the title compound, C(7)H(13)N(3)O(5), was solved using data from a multiple fragment crystal. The galactoside ring adopts a (4)C(1) chair conformation. In the crystal, the molecules are linked by strong O-H?O hydrogen bonds, which build linkages around the screw axis of the cell in a similar way to the iodo analogue. These C-5 and C-6 packing motifs expand to R(2) (2)(10), C(2) (2)(7) and C(2) (2) (2)(8) motifs, as found in closely related compounds.

SUBMITTER: Cheng JM

PROVIDER: S-EPMC3212328 | biostudies-other | 2011 Aug

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Methyl 6-azido-6-de-oxy-α-d-galactoside.

Cheng Janice M H JM Gulab Shivali A SA Timmer Mattie S M MS Stocker Bridget L BL Gainsford Graeme J GJ

Acta crystallographica. Section E, Structure reports online 20110709 Pt 8

The structure of the title compound, C(7)H(13)N(3)O(5), was solved using data from a multiple fragment crystal. The galactoside ring adopts a (4)C(1) chair conformation. In the crystal, the molecules are linked by strong O-H⋯O hydrogen bonds, which build linkages around the screw axis of the cell in a similar way to the iodo analogue. These C-5 and C-6 packing motifs expand to R(2) (2)(10), C(2) (2)(7) and C(2) (2) (2)(8) motifs, as found in closely related compounds. ...[more]

PMID: 22090985

Similar Datasets

Methyl 6-de-oxy-6-iodo-?-d-galactoside.

Project description:In the crystal of the title compound, C(7)H(13)IO(5), the molecules are linked by O-H?O hydrogen bonds, which build linkages around one screw axis of the cell. These C(5) and C(6) packing motifs expand to R(2) (2)(10) and C(2) (2)(11) motifs and are similar to those found for closely related compounds. The galactoside ring has a (1)C(4) chair conformation.

| S-EPMC3007047 | biostudies-literature

41-Azido-41-de-oxy-rapamycin.

Project description:The title compound, C(51)H(78)N(4)O(12), is a derivative of rapamycin, a triene macrolide anti-biotic mol-ecule isolated from Streptomyces hygroscopicus. The macrocyclic ring structure has 15 chiral centres, with one of the substituent hy-droxy groups giving an intra-molecular hydrogen bond to a ketone O-atom acceptor. The mol-ecules also form inter-molecular hy-droxy-ketone O-H?O hydrogen-bonding associations, giving one-dimensional chains extending along (010). The crystal has 108?Å(3) solvent-accessible voids.

| S-EPMC3344143 | biostudies-other

6-Azido-6-de-oxy-?-l-galactose (6-azido-l-fucose) monohydrate.

Project description:Although 6-azido-6-de-oxy-l-galactose in aqueous solution is in equilibrium between the open-chain, furan-ose and pyran-ose forms, it crystallizes solely as 6-azido-6-de-oxy-?-l-galactopyran-ose monohydrate, C(6)H(11)N(3)O(5)·H(2)O, with the six-membered ring adopting a chair conformation. The structure exists as hydrogen-bonded chains, with each mol-ecule acting as a donor and acceptor of five hydrogen bonds. There are no unusual crystal packing features and the absolute configuration was determined from the use of 1-azido-1-de-oxy-d-galactitol as the starting material.

| S-EPMC2962088 | biostudies-other

2-Azido-2-de-oxy-3,4-O-isopropyl-idene-2-C-methyl-d-talono-1,5-lactone.

Project description:The relative stereochemistry of the title compound, C(10)H(15)N(3)O(5), was confirmed by the crystal structure determin-ation. The absolute configuration was determined from the use of d-lyxonolactone as the starting material. The six-membered ring adopts a boat conformation with the larger azide group, rather than the methyl group, in the bowsprit position. In the crystal structure, a bifurcated inter-molecular O-H?O/O-H?N hydrogen bond links mol-ecules into chains running parallel to the b axis.

| S-EPMC2979260 | biostudies-other

7-Azido-N,N-diethyl-4,5-O-isopropyl-idene-4-C-methyl-3,6-anhydro-7-de-oxy-d-glycero-d-manno-heptonamide.

Project description:The reaction of 5-azido-5-de-oxy-2,3-O-isopropyl-idene-2-C-methyl-d-ribose with N,N-diethyl-2-(dimethyl-sulfuranyl-idene)acetamide gave the title compound, C(15)H(26)N(4)O(5), as the major product arising from initial formation of an epoxide which was subsequently opened by intra-molecular attack of the free 4-hydroxyl group. X-ray crystallography confirmed the relative stereochemistry of the title compound and the absolute configuration was determined by the use of d-ribose as the starting material. The crystal structure contains chains of mol-ecules running parallel to the a axis, being linked by weak bifurcated O-H?(N,N) hydrogen bonds.

| S-EPMC2968166 | biostudies-literature

rac-Methyl 4-azido-3-hydr-oxy-3-(2-nitro-phen-yl)butanoate.

Project description:In the title compound, C(11)H(12)N(4)O(5), the mean plane through the nitro substituent on the benzene ring is inclined to the benzene mean plane by 85.8?(2)°, which avoids steric inter-actions with the ortho substituents. The hydr-oxy group is involved in bifurcated hydrogen bonds. The first is an intra-molecular O-H?O hydrogen bond, involving the ester carbonyl O atom, which gives rise to the formation of a boat-like hydrogen-bonded chelate ring. The second is an inter-molecular O-H?N hydrogen bond involving the first N atom of the azide group of a symmetry-related mol-ecule. In the crystal structure this leads to the formation of a polmer chain extending in the c-axis direction.

| S-EPMC2968186 | biostudies-literature

5-Azido-4-benz-yloxy-2-meth-oxy-6-methyl-perhydro-pyran-3-ol.

Project description:In the title compound, C(14)H(19)N(3)O(4), the perhydro-pyran ring adopts a chair conformation. An intra-molecular C-H?O hydrogen bond generates an S(6) ring motif. In the crystal packing, mol-ecules are linked by O-H?O hydrogen bonds, forming infinite chains along [100].

| S-EPMC2977377 | biostudies-literature

N-(2-Acetamido-2-de-oxy-?-d-gluco-pyranos-yl)-N-(3-azido-prop-yl)-O-methyl-hydroxyl-amine.

Project description:The structure of the title compound, C12H23N5O6, solved using adequate data from a thin crystal plate, confirmed that this useful glycoconjugate was obtained in the ring-closed ?-pyran-ose configuration with (4) C 1 conformation. The mol-ecules are bound by O-H?O(OH) hydrogen bonds, notably in a zigzag C(2) chain along the short b (screw) axis, supplemented with an R 2 (2)(12) O-H?O(carbon-yl) link along the a axis and other C(2) links. The absolute configuration was not unambiguously determined but was known from the synthetic chemistry, which used natural 2-acetamido-2-de-oxy-d-glucose as the starting material.

| S-EPMC4778837 | biostudies-other

Poly[(?(2)-azido-?N:N)[?(2)-5-(8-quinolyl-oxy-methyl)tetra-zolato-?N,O,N:N]zinc(II)].

Project description:In the title compound, [Zn(C(11)H(8)N(5)O)(N(3))](n), the Zn atom is hexa-coordinated by five N atoms and one O atom in a distorted octa-hedral geometry. The chelating 5-(8-quinolyloxymeth-yl)tetra-zolate ligands are approximately planar, with a dihedral angle of 3.6?(2)° between the quinoline and tetra-zole planes. Adjacent Zn atoms are linked by two bridging azide ligands across a centre of inversion, and further coordination by one N atom of an adjacent tetra-zole unit forms two-dimensional frameworks in (100). C-H?N inter-actions exist between ligands in neighbouring layers.

| S-EPMC2969550 | biostudies-literature

2-Azido-methyl-3-methyl-1-phenyl-sulfonyl-1H-indole.

Project description:In the title compound, C(16)H(14)N(4)O(2)S, the plane of the indole ring is twisted by 70.4?(2)° with respect to the plane of the azidomethyl- substituent. As a result of the electron-withdrawing character of the phenyl-sulfonyl groups, the N-C bond lengths are slightly longer than the anti-cipated value of approximately 1.355?Å for an N atom with a planar configuration. The indole ring is essentially planar, with a maximum deviation of 0.0296?Å. The azide group is almost linear, the N-N-N angle being 171.4?(3)°. The methyl group on the azide-substituted C atom is in a flagpole position. The phenyl ring of the sulfonyl substituent makes a dihedral angle of 87.07?(10)° with the best plane of the indole moiety. The crystal packing is stabilized by inter-molecular C-H?O inter-actions, which link the mol-ecules into infinite chains running parallel to the b axis. The crystal packing is further stabilized by C-H?? inter-actions.

| S-EPMC3200696 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data