ChemSpider 2D Image | GalNAcGlcNAcThrNAc | C22H37N3O14

GalNAcGlcNAcThrNAc

  • Molecular FormulaC22H37N3O14
  • Average mass567.541 Da
  • Monoisotopic mass567.227539 Da
  • ChemSpider ID24606157

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1E)-N-{(2S,3R)-3-[(2-Deoxy-4-O-{2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-galactopyranosyl}-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-4-O-{2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-galactopyranosyl}-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranosyl)oxy]-1-hydroxy-4-oxo-2-butanyl}ethanimidsä ure [German] [ACD/IUPAC Name]
Acetamide, N-[(1S,2R)-2-[[2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]-2-deoxy-β-D-glucopyranosyl]oxy]-1-(hydroxymethyl)-3-oxopropyl]- [ACD/Index Name]
Acide (1E)-N-{(2S,3R)-3-[(2-désoxy-4-O-{2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-galactopyranosyl}-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranosyl)oxy]-1-hydroxy-4-oxo-2-butanyl}éth animidique [French] [ACD/IUPAC Name]
Ethanimidic acid, N-[(1S,2R)-2-[[2-deoxy-4-O-[2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-galactopyranosyl]-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-glucopyranosyl]oxy]-1-(hydroxymethyl)-3-ox opropyl]-, (1E)- [ACD/Index Name]
GalNAcGlcNAcThrNAc
N-[(2S,3R)-3-{[2-Acetamido-4-O-(2-acetamido-2-deoxy-β-D-galactopyranosyl)-2-deoxy-β-D-glucopyranosyl]oxy}-1-hydroxy-4-oxo-2-butanyl]acetamide [ACD/IUPAC Name]
N-[(2S,3R)-3-{[2-Acetamido-4-O-(2-acetamido-2-desoxy-β-D-galactopyranosyl)-2-desoxy-β-D-glucopyranosyl]oxy}-1-hydroxy-4-oxo-2-butanyl]acetamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-3-{[2-Acétamido-4-O-(2-acétamido-2-désoxy-β-D-galactopyranosyl)-2-désoxy-β-D-glucopyranosyl]oxy}-1-hydroxy-4-oxo-2-butanyl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 949.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.7±6.0 kJ/mol
Flash Point: 527.7±37.1 °C
Index of Refraction: 1.635
Molar Refractivity: 121.5±0.5 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.19
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.20
Polar Surface Area: 273 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 65.2±7.0 dyne/cm
Molar Volume: 339.4±7.0 cm3

Click to predict properties on the Chemicalize site


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