ChemSpider 2D Image | GalNAcFucGlcNAcGA-II | C24H40N2O16

GalNAcFucGlcNAcGA-II

  • Molecular FormulaC24H40N2O16
  • Average mass612.578 Da
  • Monoisotopic mass612.237793 Da
  • ChemSpider ID24606164

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-Acétamido-2-désoxy-β-D-galactopyranosyl-(1->4)-[6-désoxy-α-L-galactopyranosyl-(1->3)]-2-acétamido-2-désoxy-β-D-glucopyranoside de 2-oxoéthyle [French] [ACD/IUPAC Name]
2-Oxoethyl 2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)-[6-deoxy-α-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-β-D-glucopyranoside [ACD/IUPAC Name]
2-Oxoethyl 6-deoxy-α-L-galactopyranosyl-(1->3)-[2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-galactopyranosyl-(1->4)]-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranoside [ACD/IUPAC Name]
2-Oxoethyl-2-acetamido-2-desoxy-β-D-galactopyranosyl-(1->4)-[6-desoxy-α-L-galactopyranosyl-(1->3)]-2-acetamido-2-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Oxoethyl-6-desoxy-α-L-galactopyranosyl-(1->3)-[2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-galactopyranosyl-(1->4)]-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->3)-[2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-galactopyranosyl-(1->4)]-2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranoside de 2-oxoéthyle [French] [ACD/IUPAC Name]
GalNAcFucGlcNAcGA-II
β-D-Glucopyranoside, 2-oxoethyl O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->4)-O-[6-deoxy-α-L-galactopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-Glucopyranoside, 2-oxoethyl O-6-deoxy-α-L-galactopyranosyl-(1->3)-O-[2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-galactopyranosyl-(1->4)]-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]- [ACD/Index Name]
GalNAc-β-1-4(Fuc-α-1-3)GlcNAc-β-1-2GA (GA

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

Density: 1.7±0.1 g/cm3
Boiling Point: 907.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.8±6.0 kJ/mol
Flash Point: 502.7±37.1 °C
Index of Refraction: 1.649
Molar Refractivity: 127.9±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.27
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.39
Polar Surface Area: 279 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 67.2±7.0 dyne/cm
Molar Volume: 351.1±7.0 cm3

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