N-(4-Methylphenyl)-beta-D-mannopyranosylamine

HCID 5339986

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Basic information

CAS: 2871-14-9
Standard SMILES: Cc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1
InChIKey: SCLFETMCMRCGEO-NAWOPXAZSA-N
Molecular formula: C13H19NO5
Average molar mass: 269.29 g/mol
Monoisotopic mass: 269.12632271

Names & identifiers

Preferred name: N-(4-Methylphenyl)-beta-D-mannopyranosylamine
IUPAC: (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(4-methylanilino)oxane-3,4,5-triol

Names & synonyms

N-(4-methylphenyl)-beta-D-mannopyranosylamine2871-14-9RefChem:362158CBMicro_008731DTXSID901264729SMSF0005915BIM-0008642.P001N-(4-Methylphenyl)-I(2)-D-mannopyranosylamine

Database identifiers

CAS: 2871-14-9
PubChem CID: 5339986
DTXSID: DTXSID901264729
Nikkaji: J1.559.355E

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 102 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 282

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