(5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one

C10H10O6 — CID 7103134

IUPAC(5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one
SMILESO=C1O[C@@H](c2ccccc2)C(O)(O)C1(O)O
InChIInChI=1S/C10H10O6/c11-8-10(14,15)9(12,13)7(16-8)6-4-2-1-3-5-6/h1-5,7,12-15H/t7-/m0/s1
InChIKeyFOCLNZOXVIYMFO-ZETCQYMHSA-N
MW226.18 g/mol
LogP-1.35
Rot. Bonds1

About (5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one

(5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one (PubChem CID 7103134) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is (5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one
PubChem CID7103134
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name(5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one
SMILESO=C1O[C@@H](c2ccccc2)C(O)(O)C1(O)O
InChIInChI=1S/C10H10O6/c11-8-10(14,15)9(12,13)7(16-8)6-4-2-1-3-5-6/h1-5,7,12-15H/t7-/m0/s1
InChIKeyFOCLNZOXVIYMFO-ZETCQYMHSA-N
XLogP-1.35
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one
CID 11834613
3,3-dichloro-4-phenyloxetan-2-one
CID 12622625
(3S,4R)-3-methoxy-3-methyl-4-phenyloxetan-2-one
CID 10058396
10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione
CID 10105781
2-(4-hydroxy-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)acetic acid
CID 10425715
4-hydroxy-3,3,5-trimethyl-2-phenyl-2H-pyran-6-one
CID 134890192
(1S)-4,4-dimethyl-1-phenyl-2-oxaspiro[5.5]undecane-3,5-dione
CID 706721
(16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione
CID 880512
3-methyl-4,4,5-triphenyl-1,3-oxazolidin-2-one
CID 67774392
(6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione
CID 139042269
2,5-diphenyl-1,3-dioxane-4,6-dione
CID 10683306
(1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one
CID 101214627

Frequently Asked Questions

What is the IUPAC name of (5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one?
The IUPAC name of (5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one (CID 7103134) is (5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one.
What is the SMILES notation for (5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one?
The canonical SMILES for (5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one is O=C1O[C@@H](c2ccccc2)C(O)(O)C1(O)O.
What is the InChIKey of (5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one?
The InChIKey is FOCLNZOXVIYMFO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10O6/c11-8-10(14,15)9(12,13)7(16-8)6-4-2-1-3-5-6/h1-5,7,12-15H/t7-/m0/s1.
What are the key properties of (5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one?
(5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one has a molecular weight of 226.18 g/mol, XLogP of -1.35, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one is sourced from PubChem (CID 7103134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).