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Chemical structure of D-Saccharic Acid 1,4-lactone (hydrate)

GC43576

D-Saccharic Acid 1,4-lactone (hydrate)

Also known as (2S)-2-[(3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid;hydrate

D-Saccharic acid 1,4-lactone is an inhibitor of β-glucuronidase (IC50 = 45 μM for the human enzyme)

ChemicalCAS61278-30-6MW210.1FormulaC6H8O7•H2O
CAS number
61278-30-6
Molecular weight
210.1
Formula
C6H8O7•H2O
Solubility
DMF： 20 mg/ml,DMSO： 20 mg/ml,Ethanol： 20 mg/ml,PBS (pH 7·2)： 10 mg/ml
InChIKey
NPFKVZHSFSFLPU-VHVXQZNTSA-N
Catalogue number
GC43576
Brand
GLPBIO
Computed properties PubChem CID 16219941 · TPSA 125 Ų · H-bond donors 5 · H-bond acceptors 8
TPSA
125 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
14

SMILES [C@H]1([C@H](C(=O)OC1[C@@H](C(=O)O)O)O)O.O

Computed descriptors from PubChem (CID 16219941), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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