2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol

C12H16O6S — CID 73121602

IUPAC2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESO=S(c1ccccc1)C1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C12H16O6S/c13-6-8-9(14)10(15)11(16)12(18-8)19(17)7-4-2-1-3-5-7/h1-5,8-16H,6H2
InChIKeyBMAUZTXADWHSCZ-UHFFFAOYSA-N
MW288.32 g/mol
LogP-1.41
Rot. Bonds3

About 2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol

2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 73121602) has the molecular formula C12H16O6S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID73121602
Molecular FormulaC12H16O6S
Molecular Weight288.32 g/mol
Exact Mass288.07
IUPAC Name2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESO=S(c1ccccc1)C1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C12H16O6S/c13-6-8-9(14)10(15)11(16)12(18-8)19(17)7-4-2-1-3-5-7/h1-5,8-16H,6H2
InChIKeyBMAUZTXADWHSCZ-UHFFFAOYSA-N
XLogP-1.41
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(benzenesulfinyl)-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

phenyl thio-beta-D-galactopyranoside
CID 2802071
2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enyl]sulfanyloxane-3,4,5-triol
CID 20258413
4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide
CID 168266201
(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 7315241
(2R,3S,4S,5S,6R)-2-(Benzylthio)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 53324146
alpha-D-Glucopyranoside, phenyl 1-thio-
CID 54171670
beta-D-Glucofuranoside, phenyl 1-thio-
CID 57147889
Phenyl beta-D-thiogalactopyranoside
CID 314404
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol
CID 46875436
2-Phenylethyl alpha-D-mannopyranosyl sulfone
CID 51351561
Benzyl Alpha-D-Mannopyranosyl Sulfone
CID 51351570
(Rs)-2-phenylethyl alpha-D-mannopyranosyl sulfoxide
CID 51351571

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 73121602) is 2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol is O=S(c1ccccc1)C1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is BMAUZTXADWHSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6S/c13-6-8-9(14)10(15)11(16)12(18-8)19(17)7-4-2-1-3-5-7/h1-5,8-16H,6H2.
What are the key properties of 2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 288.32 g/mol, XLogP of -1.41, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 73121602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).