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

C13H18O7S — CID 122218451

IUPAC(2S,3R,4R,5R,6S)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESO=S(=O)(Cc1ccccc1)[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H18O7S/c14-6-9-10(15)11(16)12(17)13(20-9)21(18,19)7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12+,13-/m0/s1
InChIKeyUDJIORVHQZZHIW-YYHQMBLXSA-N
MW318.35 g/mol
LogP-1.60
Rot. Bonds4

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

(2S,3R,4R,5R,6S)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 122218451) has the molecular formula C13H18O7S and a molecular weight of 318.35 g/mol. Its IUPAC name is (2S,3R,4R,5R,6S)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6S)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID122218451
Molecular FormulaC13H18O7S
Molecular Weight318.35 g/mol
Exact Mass318.08
IUPAC Name(2S,3R,4R,5R,6S)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESO=S(=O)(Cc1ccccc1)[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H18O7S/c14-6-9-10(15)11(16)12(17)13(20-9)21(18,19)7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12+,13-/m0/s1
InChIKeyUDJIORVHQZZHIW-YYHQMBLXSA-N
XLogP-1.60
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S,3R,4R,5R,6S)-2-benzylsulfonyl-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

Related Compounds

(2R,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10332525
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol
CID 70361694
4-[4-[[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfonylmethyl]triazol-1-yl]benzenesulfonamide
CID 86579654
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfonyloxane-3,4,5-triol
CID 131866199
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 158276148
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
2-benzylsulfonyl-6-ethyl-3,4,5-trimethyloxane;ethane
CID 91140986
(3R,4R,5R,6R)-3-(benzylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 11565251
(2R,3S,4S,5S,6R)-2-hexylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46894459
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6S)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R,6S)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol (CID 122218451) is (2S,3R,4R,5R,6S)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R,6S)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R,6S)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol is O=S(=O)(Cc1ccccc1)[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R,6S)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is UDJIORVHQZZHIW-YYHQMBLXSA-N. The full InChI is InChI=1S/C13H18O7S/c14-6-9-10(15)11(16)12(17)13(20-9)21(18,19)7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12+,13-/m0/s1.
What are the key properties of (2S,3R,4R,5R,6S)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4R,5R,6S)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 318.35 g/mol, XLogP of -1.60, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6S)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 122218451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).