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4-Nitrophenyl 2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl-(1->2)-4,6-di-O-methylhexopyranosyl-(1->6)hexopyranoside

HCID 192467
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
150161-10-7
Standard SMILES
COC[C@H]1O[C@H](OC[C@H]2O[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@@H]1OC
InChIKey
UAKBGVDLDOMENG-DXERZMJBSA-N
Molecular formula
C28H42N2O18
Average molar mass
694.64 g/mol
Monoisotopic mass
694.2432625

Names & identifiers

Preferred name
4-Nitrophenyl 2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl-(1->2)-4,6-di-O-methylhexopyranosyl-(1->6)hexopyranoside
IUPAC
4-Nitrophenyl 2-deoxy-2-[(1-hydroxyethylidene)amino]-D-glucopyranosyl-(1->2)-4,6-di-O-methyl-alpha-D-mannopyranosyl-(1->6)-beta-D-glucopyranoside
English name
4-nitrophenyl O- (2-acetamido-2-deoxyglucopyranosyl)-(1-2)-O-(4,6-di-O-methylmannopyranosyl)-(1-6)-glucopyranoside
Molecular formula
C28H42N2O18
Molecular weight
694.64

Names & synonyms

4-nitrophenyl O- (2-acetamido-2-deoxyglucopyranosyl)-(1-2)-O-(4,6-di-O-methylmannopyranosyl)-(1-6)-glucopyranosideβ-D-Glucopyranoside, 4-nitrophenyl O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-4,6-di-O-methyl-α-D-mannopyranosyl-(1→6)-

Database identifiers

CAS
150161-10-7
PubChem CID
192467
DTXSID
DTXSID00933884

Properties

Physicochemical properties

Boiling point
997.5 · 997.5±65.0 °C(Predicted)
Density
1.56 · 1.56±0.1 g/cm3(Predicted)
pka
12.53 · 12.53±0.70(Predicted)

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