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

C12H16O5S — CID 10945584

IUPAC(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](Sc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H16O5S/c13-6-8-9(14)10(15)11(16)12(17-8)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11+,12-/m1/s1
InChIKeyOVLYAISOYPJBLU-LDMBFOFVSA-N
MW272.32 g/mol
LogP-0.42
Rot. Bonds3

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

(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol (PubChem CID 10945584) has the molecular formula C12H16O5S and a molecular weight of 272.32 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
PubChem CID10945584
Molecular FormulaC12H16O5S
Molecular Weight272.32 g/mol
Exact Mass272.07
IUPAC Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](Sc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H16O5S/c13-6-8-9(14)10(15)11(16)12(17-8)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11+,12-/m1/s1
InChIKeyOVLYAISOYPJBLU-LDMBFOFVSA-N
XLogP-0.42
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 5-0.42
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-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol (CID 10945584) is (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol is OC[C@H]1O[C@H](Sc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol?
The InChIKey is OVLYAISOYPJBLU-LDMBFOFVSA-N. The full InChI is InChI=1S/C12H16O5S/c13-6-8-9(14)10(15)11(16)12(17-8)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11+,12-/m1/s1.
What are the key properties of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol?
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol has a molecular weight of 272.32 g/mol, XLogP of -0.42, 3 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-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol is sourced from PubChem (CID 10945584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).