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

C13H18O7S — CID 51351570

IUPAC(2R,3S,4S,5S,6R)-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-/m1/s1
InChIKeyUDJIORVHQZZHIW-NAWOPXAZSA-N
MW318.35 g/mol
LogP-1.60
Rot. Bonds4

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

(2R,3S,4S,5S,6R)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 51351570) has the molecular formula C13H18O7S and a molecular weight of 318.35 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6R)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID51351570
Molecular FormulaC13H18O7S
Molecular Weight318.35 g/mol
Exact Mass318.08
IUPAC Name(2R,3S,4S,5S,6R)-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-/m1/s1
InChIKeyUDJIORVHQZZHIW-NAWOPXAZSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6R)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol (CID 51351570) is (2R,3S,4S,5S,6R)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6R)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6R)-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 (2R,3S,4S,5S,6R)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is UDJIORVHQZZHIW-NAWOPXAZSA-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-/m1/s1.
What are the key properties of (2R,3S,4S,5S,6R)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3S,4S,5S,6R)-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 (2R,3S,4S,5S,6R)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 51351570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).