(3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one

C13H16O6 — CID 102207627

IUPAC(3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one
SMILESO=C1O[C@H]([C@@H](O)COCc2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H16O6/c14-9(12-10(15)11(16)13(17)19-12)7-18-6-8-4-2-1-3-5-8/h1-5,9-12,14-16H,6-7H2/t9-,10-,11-,12+/m0/s1
InChIKeyUTGCGAJZMIFXMA-FIQHERPVSA-N
MW268.26 g/mol
LogP-0.79
Rot. Bonds5

About (3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one

(3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one (PubChem CID 102207627) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is (3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one.

Molecular Properties

Compound Name(3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one
PubChem CID102207627
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Name(3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one
SMILESO=C1O[C@H]([C@@H](O)COCc2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H16O6/c14-9(12-10(15)11(16)13(17)19-12)7-18-6-8-4-2-1-3-5-8/h1-5,9-12,14-16H,6-7H2/t9-,10-,11-,12+/m0/s1
InChIKeyUTGCGAJZMIFXMA-FIQHERPVSA-N
XLogP-0.79
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one with MolForge

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Related Compounds

(3R,4R,5R)-5-[(1S)-1-azido-2-phenylmethoxyethyl]-3-hydroxy-4-phenylmethoxyoxolan-2-one
CID 71485794
(3S,4R,5S)-5-[(1S)-1-azido-2-phenylmethoxyethyl]-3-hydroxy-4-phenylmethoxyoxolan-2-one
CID 71486201
(3R,4R)-3-methyl-4-[(2R)-1-phenylmethoxypropan-2-yl]oxetan-2-one
CID 10537649
(3R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
CID 134256631
(4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
CID 118317188
(3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
CID 1149778
(3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one
CID 139605652
(3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one
CID 66645562
(3S,5R)-4-azido-5-(1-hydroxy-2-phenylmethoxyethyl)oxolane-2,3-diol
CID 58971944
(3S)-4,4,5,5-tetradeuterio-3-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one
CID 58475036
(3R,5S,6S)-3,5-dimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]oxan-2-one
CID 10989510
2-phenylmethoxyethane-1,1-diol
CID 59866645

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one?
The IUPAC name of (3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one (CID 102207627) is (3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one.
What is the SMILES notation for (3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one?
The canonical SMILES for (3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one is O=C1O[C@H]([C@@H](O)COCc2ccccc2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one?
The InChIKey is UTGCGAJZMIFXMA-FIQHERPVSA-N. The full InChI is InChI=1S/C13H16O6/c14-9(12-10(15)11(16)13(17)19-12)7-18-6-8-4-2-1-3-5-8/h1-5,9-12,14-16H,6-7H2/t9-,10-,11-,12+/m0/s1.
What are the key properties of (3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one?
(3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one has a molecular weight of 268.26 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one is sourced from PubChem (CID 102207627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).