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

C13H18O6S — CID 53320172

IUPAC(2R,3S,4S,5S,6R)-2-benzylsulfinyl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESO=S(Cc1ccccc1)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H18O6S/c14-6-9-10(15)11(16)12(17)13(19-9)20(18)7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12+,13-,20?/m1/s1
InChIKeyIUNSINNYCWJCBU-KUJUZHCGSA-N
MW302.35 g/mol
LogP-1.26
Rot. Bonds4

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

(2R,3S,4S,5S,6R)-2-benzylsulfinyl-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 53320172) has the molecular formula C13H18O6S and a molecular weight of 302.35 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-2-benzylsulfinyl-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6R)-2-benzylsulfinyl-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID53320172
Molecular FormulaC13H18O6S
Molecular Weight302.35 g/mol
Exact Mass302.08
IUPAC Name(2R,3S,4S,5S,6R)-2-benzylsulfinyl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESO=S(Cc1ccccc1)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H18O6S/c14-6-9-10(15)11(16)12(17)13(19-9)20(18)7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12+,13-,20?/m1/s1
InChIKeyIUNSINNYCWJCBU-KUJUZHCGSA-N
XLogP-1.26
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-2-benzylsulfinyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6R)-2-benzylsulfinyl-6-(hydroxymethyl)oxane-3,4,5-triol (CID 53320172) is (2R,3S,4S,5S,6R)-2-benzylsulfinyl-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6R)-2-benzylsulfinyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6R)-2-benzylsulfinyl-6-(hydroxymethyl)oxane-3,4,5-triol is O=S(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-benzylsulfinyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is IUNSINNYCWJCBU-KUJUZHCGSA-N. The full InChI is InChI=1S/C13H18O6S/c14-6-9-10(15)11(16)12(17)13(19-9)20(18)7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12+,13-,20?/m1/s1.
What are the key properties of (2R,3S,4S,5S,6R)-2-benzylsulfinyl-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3S,4S,5S,6R)-2-benzylsulfinyl-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 302.35 g/mol, XLogP of -1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6R)-2-benzylsulfinyl-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 53320172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).