N-Hydroxymethyl-N-methyl-2,2-diphenylacetamide-beta-glucoside

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Basic information

CAS: 50861-87-5
Standard SMILES: CN(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C(c1ccccc1)c1ccccc1
InChIKey: QWFRVFLBYZJZOI-QKYBYQKWSA-N
Molecular formula: C22H27NO7
Average molar mass: 417.5 g/mol
Monoisotopic mass: 417.1787522

Names & identifiers

Preferred name: N-Hydroxymethyl-N-methyl-2,2-diphenylacetamide-beta-glucoside
IUPAC: N-methyl-2,2-diphenyl-N-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]acetamide

Names & synonyms

50861-87-5N-Hydroxymethyl-N-methyl-2,2-diphenylacetamide-beta-glucosideDTXSID10965090N-[(Hexopyranosyloxy)methyl]-N-methyl-2,2-diphenylacetamideN-[(beta-D-glucopyranosyloxy)methyl]-N-methyl-2,2-diphenylacetamide

Database identifiers

CAS: 50861-87-5
PubChem CID: 186644
DTXSID: DTXSID10965090

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 120 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 518

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Compound notes

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