5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol

C13H17FO4S — CID 58178537

IUPAC5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol
SMILESCc1ccc(SC2OC(CO)C(F)C(O)C2O)cc1
InChIInChI=1S/C13H17FO4S/c1-7-2-4-8(5-3-7)19-13-12(17)11(16)10(14)9(6-15)18-13/h2-5,9-13,15-17H,6H2,1H3
InChIKeyIARZDNVHPGBKFP-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.86
Rot. Bonds3

About 5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol

5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol (PubChem CID 58178537) has the molecular formula C13H17FO4S and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol.

Molecular Properties

Compound Name5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol
PubChem CID58178537
Molecular FormulaC13H17FO4S
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol
SMILESCc1ccc(SC2OC(CO)C(F)C(O)C2O)cc1
InChIInChI=1S/C13H17FO4S/c1-7-2-4-8(5-3-7)19-13-12(17)11(16)10(14)9(6-15)18-13/h2-5,9-13,15-17H,6H2,1H3
InChIKeyIARZDNVHPGBKFP-UHFFFAOYSA-N
XLogP0.86
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol?
The IUPAC name of 5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol (CID 58178537) is 5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol.
What is the SMILES notation for 5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol?
The canonical SMILES for 5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol is Cc1ccc(SC2OC(CO)C(F)C(O)C2O)cc1.
What is the InChIKey of 5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol?
The InChIKey is IARZDNVHPGBKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO4S/c1-7-2-4-8(5-3-7)19-13-12(17)11(16)10(14)9(6-15)18-13/h2-5,9-13,15-17H,6H2,1H3.
What are the key properties of 5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol?
5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol has a molecular weight of 288.34 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(hydroxymethyl)-2-(4-methylphenyl)sulfanyloxane-3,4-diol is sourced from PubChem (CID 58178537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).