(2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol

C19H22O5 — CID 10125816

IUPAC(2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2cccc(Cc3ccccc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H22O5/c20-11-15-16(21)17(22)18(23)19(24-15)14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10,15-23H,9,11H2/t15-,16-,17+,18-,19+/m1/s1
InChIKeySZHXKKDXIWLWAN-FQBWVUSXSA-N
MW330.38 g/mol
LogP0.79
Rot. Bonds4

About (2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 10125816) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID10125816
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2cccc(Cc3ccccc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H22O5/c20-11-15-16(21)17(22)18(23)19(24-15)14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10,15-23H,9,11H2/t15-,16-,17+,18-,19+/m1/s1
InChIKeySZHXKKDXIWLWAN-FQBWVUSXSA-N
XLogP0.79
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol 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 (2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 10125816) is (2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](c2cccc(Cc3ccccc3)c2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is SZHXKKDXIWLWAN-FQBWVUSXSA-N. The full InChI is InChI=1S/C19H22O5/c20-11-15-16(21)17(22)18(23)19(24-15)14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10,15-23H,9,11H2/t15-,16-,17+,18-,19+/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 330.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 10125816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).