ChemSpider 2D Image | (6R)-3,5-Dideoxy-5-[(Z)-(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-alpha-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-deoxy-2-[(Z)-(1-hydroxyethylidene)amin o]-D-glucopyranose | C25H42N2O19

(6R)-3,5-Dideoxy-5-[(Z)-(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-α-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-deoxy-2-[(Z)-(1-hydroxyethylidene)amin o]-D-glucopyranose

  • Molecular FormulaC25H42N2O19
  • Average mass674.603 Da
  • Monoisotopic mass674.238159 Da
  • ChemSpider ID57267332

  • defined stereocentres - 15 of 16 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(6R)-3,5-Dideoxy-5-[(Z)-(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-α-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-deoxy-2-[(Z)-(1-hydroxyethylidene)amin o]-D-glucopyranose [ACD/IUPAC Name]
(6R)-3,5-Didesoxy-5-[(Z)-(1-hydroxyethyliden)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-α-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-desoxy-2-[(Z)-(1-hydroxyethyliden)amin o]-D-glucopyranose [German] [ACD/IUPAC Name]
(6R)-3,5-Didésoxy-5-[(Z)-(1-hydroxyéthylidène)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-α-L-thréo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-désoxy-2-[(Z)-(1-hydroxyéthylidène)am ino]-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, O-3,5-dideoxy-5-[[(1Z)-1-hydroxyethylidene]amino]-D-glycero-β-D-galacto-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)-2-deoxy-2-[[(1Z)-1-hydroxyethylidene]amino]- [ACD/Index Name]
3'-B-SIALYL-N-ACETYLLACTOSAMINE
81693-22-3 [RN]
MFCD00797625

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point: 1121.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 186.7±6.0 kJ/mol
Flash Point: 632.3±37.1 °C
Index of Refraction: 1.685
Molar Refractivity: 135.3±0.5 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -5.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 351 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 81.7±7.0 dyne/cm
Molar Volume: 355.8±7.0 cm3

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