phenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone

C12H14O6 — CID 141013818

IUPACphenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone
SMILESO=C(c1ccccc1)[C@@]1(O)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H14O6/c13-6-8-9(14)11(16)12(17,18-8)10(15)7-4-2-1-3-5-7/h1-5,8-9,11,13-14,16-17H,6H2/t8-,9-,11-,12-/m1/s1
InChIKeyLUAUSKCZUFCFMS-CNVPUSNMSA-N
MW254.24 g/mol
LogP-1.33
Rot. Bonds3

About phenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone

phenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone (PubChem CID 141013818) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is phenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone
PubChem CID141013818
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Namephenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone
SMILESO=C(c1ccccc1)[C@@]1(O)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H14O6/c13-6-8-9(14)11(16)12(17,18-8)10(15)7-4-2-1-3-5-7/h1-5,8-9,11,13-14,16-17H,6H2/t8-,9-,11-,12-/m1/s1
InChIKeyLUAUSKCZUFCFMS-CNVPUSNMSA-N
XLogP-1.33
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze phenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone 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 phenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone?
The IUPAC name of phenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone (CID 141013818) is phenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone.
What is the SMILES notation for phenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone?
The canonical SMILES for phenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone is O=C(c1ccccc1)[C@@]1(O)O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of phenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone?
The InChIKey is LUAUSKCZUFCFMS-CNVPUSNMSA-N. The full InChI is InChI=1S/C12H14O6/c13-6-8-9(14)11(16)12(17,18-8)10(15)7-4-2-1-3-5-7/h1-5,8-9,11,13-14,16-17H,6H2/t8-,9-,11-,12-/m1/s1.
What are the key properties of phenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone?
phenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone has a molecular weight of 254.24 g/mol, XLogP of -1.33, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2S,3R,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanone is sourced from PubChem (CID 141013818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).