Acetohydroxamic acid, N-(p-(p-chlorophenoxy)phenyl)-O-beta-D-glucopyranosyl-, hydrate (2:1)

HCID 152182

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Basic information

CAS: 98911-23-0
Standard SMILES: CC(=O)N(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(Oc2ccc(Cl)cc2)cc1.O.O
InChIKey: APHNZXBLCZOYGF-NNZJJMFZSA-N
Molecular formula: C20H26ClNO10
Average molar mass: 475.9 g/mol
Monoisotopic mass: 475.1245237

Names & identifiers

Preferred name: Acetohydroxamic acid, N-(p-(p-chlorophenoxy)phenyl)-O-beta-D-glucopyranosyl-, hydrate (2:1)
IUPAC: N-[4-(4-chlorophenoxy)phenyl]-N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide;dihydrate
English name: N-Acetyl-4-(4-chlorophenoxy)anilino beta-D-glycopyranoside
Molecular formula: C20H22ClNO8
Molecular weight: 0

Names & synonyms

Acetohydroxamic acid, N-(p-(p-chlorophenoxy)phenyl)-O-beta-D-glucopyranosyl-, hydrate (2:1)98911-23-0N-Acetyl-4-(4-chlorophenoxy)anilino beta-D-glycopyranosideCCRIS 5394N-Acetyl-4-(4-chlorophenoxy)anilino-beta-D-glucopyranoside hemihydratebeta-D-Glucopyranose, 1-((acetyl(4-(4-chlorophenoxy)phenyl)amino)oxy)-1-deoxy-N-(p-(p-Chlorophenoxy)phenyl)-O-beta-D-glucopyranosylacetohydroxamic acid hydrate (2:1)DTXSID602438751-O-{N-[4-(4-Chlorophenoxy)phenyl]acetamido}-beta-D-glucopyranose--water (1/2)N-acetyl-4-(4-chlorophenoxy)anilino β-D-glucopyranoside

Database identifiers

CAS: 98911-23-0
PubChem CID: 152182
DTXSID: DTXSID60243875

Properties

Computed structural properties

Topological polar surface area: 131 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 10
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 553

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

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