ChemSpider 2D Image | GalNAc2FucGlcNAcThrNAc | C36H60N4O23

GalNAc2FucGlcNAcThrNAc

  • Molecular FormulaC36H60N4O23
  • Average mass916.875 Da
  • Monoisotopic mass916.364807 Da
  • ChemSpider ID24606160

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(1E)-N-[(2S,3R)-3-({2-Deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-galactopyranosyl-(1->4)-[2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-α-D-galactopyranosyl-(1->2)-6-deoxy-α-L-galactopyranos yl-(1->3)]-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranosyl}oxy)-1-hydroxy-4-oxo-2-butanyl]ethanimidic acid [ACD/IUPAC Name]
(1E)-N-[(2S,3R)-3-({2-Desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-galactopyranosyl-(1->4)-[2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-α-D-galactopyranosyl-(1->2)-6-desoxy-α-L-galactopyrano syl-(1->3)]-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranosyl}oxy)-1-hydroxy-4-oxo-2-butanyl]ethanimidsäure [German] [ACD/IUPAC Name]
Acetamide, N-[(1S,2R)-2-[[O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->4)-O-[O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->2)-6-deoxy-α-L-galactopyranosyl-(1->3)]-2-(acetylamino) -2-deoxy-β-D-glucopyranosyl]oxy]-1-(hydroxymethyl)-3-oxopropyl]- [ACD/Index Name]
Acide (1E)-N-[(2S,3R)-3-({2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-galactopyranosyl-(1->4)-[2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-α-D-galactopyranosyl-(1->2)-6-désoxy-α-L-galac topyranosyl-(1->3)]-2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranosyl}oxy)-1-hydroxy-4-oxo-2-butanyl]éthanimidique [French] [ACD/IUPAC Name]
Ethanimidic acid, N-[(1S,2R)-2-[[O-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-galactopyranosyl-(1->4)-O-[O-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-α-D-galactopyranosyl-(1->2)-6-deoxy-a lpha-L-galactopyranosyl-(1->3)]-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-glucopyranosyl]oxy]-1-(hydroxymethyl)-3-oxopropyl]-, (1E)- [ACD/Index Name]
GalNAc2FucGlcNAcThrNAc
N-[(2S,3R)-3-{[2-Acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)-[2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->;2)-6-deoxy-α-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-β-D-glucopyranosy l]oxy}-1-hydroxy-4-oxo-2-butanyl]acetamide [ACD/IUPAC Name]
N-[(2S,3R)-3-{[2-Acetamido-2-desoxy-β-D-galactopyranosyl-(1->4)-[2-acetamido-2-desoxy-α-D-galactopyranosyl-(1->2)-6-desoxy-α-L-galactopyranosyl-(1->3)]-2-acetamido-2-desoxy-β-D-glucopyra nosyl]oxy}-1-hydroxy-4-oxo-2-butanyl]acetamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-3-{[2-Acétamido-2-désoxy-β-D-galactopyranosyl-(1->4)-[2-acétamido-2-désoxy-α-D-galactopyranosyl-(1->2)-6-désoxy-α-L-galactopyranosyl-(1->3)]-2-acétamido-2-désoxy-β-D-glucopyra nosyl]oxy}-1-hydroxy-4-oxo-2-butanyl]acétamide [French] [ACD/IUPAC Name]
GalNAc-β-1-4(GalNAc-α-1-2Fuc-α-1-3)GlcNAc-β-1-2ThrNAc (ThrNAc

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 1218.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 204.3±6.0 kJ/mol
Flash Point: 690.6±37.1 °C
Index of Refraction: 1.665
Molar Refractivity: 193.5±0.5 cm3
#H bond acceptors: 27
#H bond donors: 14
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.56
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.56
Polar Surface Area: 424 Å2
Polarizability: 76.7±0.5 10-24cm3
Surface Tension: 69.6±7.0 dyne/cm
Molar Volume: 521.0±7.0 cm3

Click to predict properties on the Chemicalize site


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