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3-O-(2-O-Acetyl-6-deoxyhexopyranosyl)-4-[(2-carboxy-1-hydroxyethylidene)amino]-4,6-dideoxyhexopyranose

HCID 192529
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Basic information

CAS
151299-42-2
Standard SMILES
CC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](C)[C@H]2NC(=O)CC(=O)O)O[C@@H](C)[C@H](O)[C@H]1O
InChIKey
YEXKHDSGIBZZPH-FSIRCQHCSA-N
Molecular formula
C17H27NO12
Average molar mass
437.398 g/mol
Monoisotopic mass
437.1533253

Names & identifiers

Preferred name
3-O-(2-O-Acetyl-6-deoxyhexopyranosyl)-4-[(2-carboxy-1-hydroxyethylidene)amino]-4,6-dideoxyhexopyranose
IUPAC
3-O-(2-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)-4-[(2-carboxy-1-hydroxyethylidene)amino]-4,6-dideoxy-beta-D-glucopyranose
English name
4,6-dideoxy-4-malonylaminoglucose
Molecular formula
C17H27NO12
Molecular weight
437.4

Names & synonyms

4,6-dideoxy-4-malonylaminoglucoseβ-D-Glucopyranose, 3-O-(2-O-acetyl-6-deoxy-α-L-mannopyranosyl)-4-[(carboxyacetyl)amino]-4,6-dideoxy- (9CI)

Database identifiers

CAS
151299-42-2
PubChem CID
192529
DTXSID
DTXSID30934223

Properties

Physicochemical properties

Boiling point
723.4 · 723.4±60.0 °C(Predicted)
Density
1.52 · 1.52±0.1 g/cm3(Predicted)
pka
3.66 · 3.66±0.32(Predicted)

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