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Pent-4-en-1-yl 3,5-dideoxy-5-[(1-hydroxyethylidene)amino]non-2-ulopyranonosyl-(2->6)hexopyranosyl-(1->4)-2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranoside

HCID 192568
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Basic information

CAS
151960-90-6
Standard SMILES
C=CCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
InChIKey
VYHCOUNBABWLRQ-JQFNGPIQSA-N
Molecular formula
C30H50N2O19
Average molar mass
742.725 g/mol
Monoisotopic mass
742.30077738

Names & identifiers

Preferred name
Pent-4-en-1-yl 3,5-dideoxy-5-[(1-hydroxyethylidene)amino]non-2-ulopyranonosyl-(2->6)hexopyranosyl-(1->4)-2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranoside
IUPAC
Pent-4-en-1-yl 3,5-dideoxy-5-[(1-hydroxyethylidene)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-2-deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranoside
English name
N-acetylneuraminyl-2-6-galactopyranosyl-1-4-N-acetylglucosaminyl-1-O-pent-4-ene
Molecular formula
C30H50N2O19
Molecular weight
742.72

Names & synonyms

N-acetylneuraminyl-2-6-galactopyranosyl-1-4-N-acetylglucosaminyl-1-O-pent-4-eneβ-D-Glucopyranoside, 4-pentenyl O-(N-acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy- (9CI)

Database identifiers

CAS
151960-90-6
PubChem CID
192568
DTXSID
DTXSID30934389

Properties

Physicochemical properties

Boiling point
1135.591 · 1135.591±65.00 °C(Press: 760.00 Torr)(predicted)
Density
1.545 · 1.545±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
2.01 · 2.010±0.70(predicted)

Chemistry & industry

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