(2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one

C12H12O5S — CID 54713108

IUPAC(2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CSc2ccccc2)C(O)=C1O
InChIInChI=1S/C12H12O5S/c13-8(6-18-7-4-2-1-3-5-7)11-9(14)10(15)12(16)17-11/h1-5,8,11,13-15H,6H2/t8-,11+/m0/s1
InChIKeyXZVWHMOTXCKOQQ-GZMMTYOYSA-N
MW268.29 g/mol
LogP1.39
Rot. Bonds4

About (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one

(2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one (PubChem CID 54713108) has the molecular formula C12H12O5S and a molecular weight of 268.29 g/mol. Its IUPAC name is (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one
PubChem CID54713108
Molecular FormulaC12H12O5S
Molecular Weight268.29 g/mol
Exact Mass268.04
IUPAC Name(2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CSc2ccccc2)C(O)=C1O
InChIInChI=1S/C12H12O5S/c13-8(6-18-7-4-2-1-3-5-7)11-9(14)10(15)12(16)17-11/h1-5,8,11,13-15H,6H2/t8-,11+/m0/s1
InChIKeyXZVWHMOTXCKOQQ-GZMMTYOYSA-N
XLogP1.39
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one 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 (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one?
The IUPAC name of (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one (CID 54713108) is (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one?
The canonical SMILES for (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one is O=C1O[C@H]([C@@H](O)CSc2ccccc2)C(O)=C1O.
What is the InChIKey of (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one?
The InChIKey is XZVWHMOTXCKOQQ-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H12O5S/c13-8(6-18-7-4-2-1-3-5-7)11-9(14)10(15)12(16)17-11/h1-5,8,11,13-15H,6H2/t8-,11+/m0/s1.
What are the key properties of (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one?
(2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one has a molecular weight of 268.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-phenylsulfanylethyl]-2H-furan-5-one is sourced from PubChem (CID 54713108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).