4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione

C14H17NO5S — CID 72792531

IUPAC4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione
SMILESO[C@@H]1[C@@H](OCc2ccccc2)[C@@H](C2COC(=S)N2)O[C@@H]1O
InChIInChI=1S/C14H17NO5S/c16-10-12(18-6-8-4-2-1-3-5-8)11(20-13(10)17)9-7-19-14(21)15-9/h1-5,9-13,16-17H,6-7H2,(H,15,21)/t9?,10-,11-,12-,13+/m1/s1
InChIKeyGOMLPFZBHJOOSZ-CBZUXLNKSA-N
MW311.36 g/mol
LogP-0.08
Rot. Bonds4

About 4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione

4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione (PubChem CID 72792531) has the molecular formula C14H17NO5S and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione
PubChem CID72792531
Molecular FormulaC14H17NO5S
Molecular Weight311.36 g/mol
Exact Mass311.08
IUPAC Name4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione
SMILESO[C@@H]1[C@@H](OCc2ccccc2)[C@@H](C2COC(=S)N2)O[C@@H]1O
InChIInChI=1S/C14H17NO5S/c16-10-12(18-6-8-4-2-1-3-5-8)11(20-13(10)17)9-7-19-14(21)15-9/h1-5,9-13,16-17H,6-7H2,(H,15,21)/t9?,10-,11-,12-,13+/m1/s1
InChIKeyGOMLPFZBHJOOSZ-CBZUXLNKSA-N
XLogP-0.08
TPSA80.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione?
The IUPAC name of 4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione (CID 72792531) is 4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione.
What is the SMILES notation for 4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione?
The canonical SMILES for 4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione is O[C@@H]1[C@@H](OCc2ccccc2)[C@@H](C2COC(=S)N2)O[C@@H]1O.
What is the InChIKey of 4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione?
The InChIKey is GOMLPFZBHJOOSZ-CBZUXLNKSA-N. The full InChI is InChI=1S/C14H17NO5S/c16-10-12(18-6-8-4-2-1-3-5-8)11(20-13(10)17)9-7-19-14(21)15-9/h1-5,9-13,16-17H,6-7H2,(H,15,21)/t9?,10-,11-,12-,13+/m1/s1.
What are the key properties of 4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione?
4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione has a molecular weight of 311.36 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R,4R,5S)-4,5-dihydroxy-3-phenylmethoxyoxolan-2-yl]-1,3-oxazolidine-2-thione is sourced from PubChem (CID 72792531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).