1-Thio-Beta-D-Glucopyranose

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as monosaccharides. These are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.

Monosaccharides

Organic compounds

Organooxygen compounds

Carbohydrates and carbohydrate conjugates

Monosaccharides

Calculated Property

kind Value Source
logP -1.4 ALOGPS
logS -0.5 ALOGPS
Water Solubility 6.26e+01 g/l ALOGPS
logP -2 ChemAxon
IUPAC Name (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol ChemAxon
Traditional IUPAC Name 1-thio-β-D-glucopyranose ChemAxon
Molecular Weight 196.221 ChemAxon
Monoisotopic Weight 196.040544184 ChemAxon
SMILES OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon
Molecular Formula C6H12O5S ChemAxon
InChI InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1 ChemAxon
InChIKey InChIKey=JUSMHIGDXPKSID-DVKNGEFBSA-N ChemAxon
Polar Surface Area (PSA) 90.15 ChemAxon
Refractivity 42.14 ChemAxon
Polarizability 18.29 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 5 ChemAxon
pKa (strongest acidic) 8.64 ChemAxon
pKa (strongest basic) -3 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Endoglucanase G : in Clostridium cellulolyticum (strain ATCC 35319 / DSM 5812 / JCM 6584 / H10)