Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(3S,4S,5S)-4-Hydr-oxy-3-methyl-5-[(2S,3R)-3-methyl-pent-4-en-2-yl]-4,5-dihydro-furan-2(3H)-one.

ABSTRACT: The title compound, C(11)H(18)O(3), was synthesized to prove the relative configuration of the corresponding acyclic C1-C8 stereopentade. Mol-ecules are linked via O-H?O hydrogen bonds, forming a chain along the b axis.

SUBMITTER: Gille A

PROVIDER: S-EPMC2960667 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(3S,4S,5S)-4-Hydr-oxy-3-methyl-5-[(2S,3R)-3-methyl-pent-4-en-2-yl]-4,5-dihydro-furan-2(3H)-one.

Gille Annika A Schürmann Markus M Preut Hans H Hiersemann Martin M

Acta crystallographica. Section E, Structure reports online 20080830 Pt 9

The title compound, C(11)H(18)O(3), was synthesized to prove the relative configuration of the corresponding acyclic C1-C8 stereopentade. Mol-ecules are linked via O-H⋯O hydrogen bonds, forming a chain along the b axis. ...[more]

PMID: 21201808

Similar Datasets

(3S,4S,5R)-4-Hydr-oxy-3-methyl-5-[(2S,3R)-3-methyl-pent-4-en-2-yl]-4,5-dihydro-furan-2(3H)-one.

Project description:The relative configuration of the title compound, C(11)H(18)O(3), was corroborated by single-crystal X-ray diffraction analysis. In the crystal, mol-ecules are linked via a O-H?O hydrogen bond and a chain of mol-ecules is formed along [010].

| S-EPMC2968068 | biostudies-literature

(3R,4S,5S)-4-Hydr-oxy-3-methyl-5-[(2S,3R)-3-methyl-pent-4-en-2-yl]tetra-hydro-furan-2-one.

Project description:The title compound, C(11)H(18)O(3), was synthesized to prove the relative configuration of the corresponding acyclic C1-C8 stereopentade. It crystallizes with two mol-ecules in the asymmetric unit, which show only slight differences. The mol-ecules are linked via O-H⋯O hydrogen bonds, resulting in two crystallographically independent chains of mol-ecules propagating in the a-axis direction. The absolute configuration was known from the synthesis.

| S-EPMC2962143 | biostudies-literature

(3R,4R,5S)-4-Hydr-oxy-3-methyl-5-[(2S,3R)-3-methyl-pent-4-en-2-yl]-4,5-dihydro-furan-2(3H)-one.

Project description:The relative configuration of the title compound, C(11)H(18)O(3), which was synthesized using a catalytic asymmetric Gosteli-Claisen rearrangement, a diastereoselective reduction with K-Selectride and an Evans aldol addition, was corroborated by single-crystal X-ray diffraction analysis. The five-membered ring has an envelope conformation with a dihedral angle of 29.46 (16)° between the coplanar part and the flap (the hydr-oxy-bearing ring C atom). In the crystal, mol-ecules are connected via bifurcated O-H⋯(O,O) hydrogen bonds, generating [010] chains.

| S-EPMC2971977 | biostudies-literature

2-Amino-9-[(1S,3R,4S)-4-hydr-oxy-3-hydroxy-methyl-2-methyl-enecyclo-pent-yl]-1,9-dihydro-6H-purin-6-one monohydrate.

Project description:In the crystal of the title compound, C(12)H(15)N(5)O(3)·H(2)O, the component species are linked by N-H⋯N, N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, forming a three-dimesnional network.

| S-EPMC2969881 | biostudies-literature

(1S,3S,4S)-tert-Butyl N-[1-benzyl-3-hydr-oxy-5-phenyl-4-(picolinamido)pent-yl]carbamate.

Project description:The title compound, C(29)H(35)N(3)O(4), was obtained by the reaction of (2S,4S,5S)-tert-butyl N-(4-amino-1-benzyl-3-hydr-oxy-5-phenyl-pent-yl)carbamate and picolinic acid using oxalyl chloride as a chlorinating reagent to activate the carboxyl group. In the crystal structure there are two mol-ecules in the asymmetric unit, which are aligned edge-to-face. In one mol-ecule, the pyridyl ring forms a dihedral angle of 22.0 (1)° with the phenyl ring of the terminal benzyl group and 14.3 (1)° with the other phenyl ring; in the other mol-ecule, the corresponding angles are 12.1 (1) and 10.6 (1)°, respectively. The packing is stabilized by inter-molecular hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC2961835 | biostudies-literature

5-{(2S,3R,4S,5S,6R)-3,4-Dihydr-oxy-6-hydroxy-meth-yl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydr-oxy-6-methyl-tetra-hydro-pyran-2-yloxy]tetra-hydro-pyran-2-yloxy}--7-hydr-oxy-2-(4-hydroxy-phen-yl)chromen-4-one monohydrate.

Project description:In the title compound, C(27)H(30)O(14)·H(2)O, the hydroxy-phenyl ring makes a dihedral angle of 20.05?(11)° with the chromenone ring system. The crystal structure is stabilized by intra- and inter-molecular O-H?O hydrogen bonds. The absolute configuration was assigned on the basis of an analagous structure.

| S-EPMC2959284 | biostudies-literature

3-(2-Hydr-oxy-5-methyl-anilino)isobenzo-furan-1(3H)-one.

Project description:In the mol-ecule of the title compound, C(15)H(13)NO(3), the phthalide ring system is virtually planar, with a dihedral angle of 1.98 (3)° between the fused five- and six-membered rings. The substituted aromatic ring is oriented at a dihedral angle of 57.50 (3)° with respect to the phthalide ring system. In the crystal structure, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules, forming a three-dimensional network.

| S-EPMC2961204 | biostudies-literature

(1R,2R,3R,4S,5S)-3-Methyl-8-oxa-bicyclo-[3.2.1]oct-6-ene-2,4-diyl diacetate.

Project description:The mol-ecule of the title compound, C(12)H(16)O(5), has crystallographically imposed mirror symmetry with the mirror plane passing through the endocyclic O atom and the mid-point of the double bond. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming chains running along the a axis.

| S-EPMC3213568 | biostudies-literature

Penta-fluoro-phenyl (3R,4R,5S)-5-{[(3R,4R,5S)-5-azido-methyl-3,4-dimeth-oxy-2,3,4,5-tetra-hydro-furan-3-carboxamido]-meth-yl}-3,4-dimeth-oxy-2,3,4,5-tetra-hydro-furan-3-carboxyl-ate.

Project description:The title compound, C(22)H(25)F(5)N(4)O(9), is a stable penta-fluoro-phenyl ester inter-mediate in the synthesis of novel homo-oligomeric structures containing branched carbon chains. The structure is epimeric to the previously characterized dimeric penta-fluoro-phenyl ester with stereochemistry (3R,4R,5R), which was synthesized using d-ribose as starting material. The crystal structure of the title mol-ecule removes any ambiguities arising from the relative stereochemistries of the six chiral centres. Two hydrogen bonds, bifurcating from the NH group, stabilize the crystal: one intra-molecular and one inter-molecular, both involving O atoms of the meth-oxy groups. The asymmetric unit contains two independent mol-ecules not related by any pseudo-symmetry operators. The major conformational differences are localized, leading to one mol-ecule being extended compared to the other. The collected crystal was twinned (twin ratio is 0.939:0.061), and the azide group is positionally disordered over two positions in one mol-ecule [occupancy ratio 0.511?(18):0.489?(18)].

| S-EPMC3009349 | biostudies-literature

(5R*)-5-[(2S*,5S*)-1-Meth-oxy-5-phenyl-pyrrolidin-2-yl]-3-methyl-furan-2(5H)-one.

Project description:In the title compound, C16H19NO3, the pyrrolidine ring is in a twist conformation. The dihedral angle between the di-hydro-furan ring [maximum deviation = 0.0016?(11)?Å] and the phenyl ring is 47.22?(8)°. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, forming helical chains along the b-axis direction. The chains are further linked by C-H?? inter-actions to constitute a three-dimensional architecture.

| S-EPMC4158531 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

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