(3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one

C25H24O5S — CID 11316517

IUPAC(3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1O[C@H](CO)[C@H]([C@@H](c2ccccc2)S(=O)(=O)c2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C25H24O5S/c26-17-22-23(21(25(27)30-22)16-18-10-4-1-5-11-18)24(19-12-6-2-7-13-19)31(28,29)20-14-8-3-9-15-20/h1-15,21-24,26H,16-17H2/t21-,22-,23-,24-/m1/s1
InChIKeyYWCALINEEBFDPE-MOUTVQLLSA-N
MW436.53 g/mol
LogP3.59
Rot. Bonds7

About (3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one

(3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one (PubChem CID 11316517) has the molecular formula C25H24O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is (3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one
PubChem CID11316517
Molecular FormulaC25H24O5S
Molecular Weight436.53 g/mol
Exact Mass436.13
IUPAC Name(3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1O[C@H](CO)[C@H]([C@@H](c2ccccc2)S(=O)(=O)c2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C25H24O5S/c26-17-22-23(21(25(27)30-22)16-18-10-4-1-5-11-18)24(19-12-6-2-7-13-19)31(28,29)20-14-8-3-9-15-20/h1-15,21-24,26H,16-17H2/t21-,22-,23-,24-/m1/s1
InChIKeyYWCALINEEBFDPE-MOUTVQLLSA-N
XLogP3.59
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-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

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one?
The IUPAC name of (3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one (CID 11316517) is (3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for (3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for (3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one is O=C1O[C@H](CO)[C@H]([C@@H](c2ccccc2)S(=O)(=O)c2ccccc2)[C@H]1Cc1ccccc1.
What is the InChIKey of (3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one?
The InChIKey is YWCALINEEBFDPE-MOUTVQLLSA-N. The full InChI is InChI=1S/C25H24O5S/c26-17-22-23(21(25(27)30-22)16-18-10-4-1-5-11-18)24(19-12-6-2-7-13-19)31(28,29)20-14-8-3-9-15-20/h1-15,21-24,26H,16-17H2/t21-,22-,23-,24-/m1/s1.
What are the key properties of (3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one?
(3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one has a molecular weight of 436.53 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-4-[(S)-benzenesulfonyl(phenyl)methyl]-3-benzyl-5-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 11316517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).