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Chemical structure of 1-thio-β-D-Glucose (sodium salt)

GC42049

1-thio-β-D-Glucose (sodium salt)

Also known as sodium (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-thiolate

1-thio-β-D-Glucose is an analog of β-D-glucose in which sulfur replaces the hydroxyl group at the one position

ChemicalCAS10593-29-0MW218.2FormulaC6H11O5S•Na
CAS number
10593-29-0
Molecular weight
218.2
Formula
C6H11O5S•Na
Solubility
DMSO： 10 mg/ml,PBS (pH 7·2)： 10 mg/ml
InChIKey
VKPBZIVFRYLHPT-WNFIKIDCSA-M
Catalogue number
GC42049
Brand
GLPBIO
Computed properties PubChem CID 11413308 · TPSA 91.2 Ų · H-bond donors 4 · H-bond acceptors 6
TPSA
91.2 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
13

SMILES C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])O)O)O)O.[Na+]

Computed descriptors from PubChem (CID 11413308), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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