ChemSpider 2D Image | FucGlcNAcThrNAc | C20H34N2O13

FucGlcNAcThrNAc

  • Molecular FormulaC20H34N2O13
  • Average mass510.490 Da
  • Monoisotopic mass510.206085 Da
  • ChemSpider ID24606156

  • 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-3-O-(6-deoxy-α-L-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-3-O-(6-desoxy-α-L-galactopyranosyl)-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-[[2-(acetylamino)-2-deoxy-3-O-(6-deoxy-α-L-galactopyranosyl)-β-D-glucopyranosyl]oxy]-1-(hydroxymethyl)-3-oxopropyl]- [ACD/Index Name]
Acide (1E)-N-[(2S,3R)-3-({2-désoxy-3-O-(6-désoxy-α-L-galactopyranosyl)-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-[[2-deoxy-3-O-(6-deoxy-α-L-galactopyranosyl)-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-glucopyranosyl]oxy]-1-(hydroxymethyl)-3-oxopropyl]-, (1E)- [ACD/Index Name]
FucGlcNAcThrNAc
N-[(2S,3R)-3-{[2-Acetamido-2-deoxy-3-O-(6-deoxy-α-L-galactopyranosyl)-β-D-glucopyranosyl]oxy}-1-hydroxy-4-oxo-2-butanyl]acetamide [ACD/IUPAC Name]
N-[(2S,3R)-3-{[2-Acetamido-2-desoxy-3-O-(6-desoxy-α-L-galactopyranosyl)-β-D-glucopyranosyl]oxy}-1-hydroxy-4-oxo-2-butanyl]acetamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-3-{[2-Acétamido-2-désoxy-3-O-(6-désoxy-α-L-galactopyranosyl)-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, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 840.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.9±6.0 kJ/mol
Flash Point: 462.2±37.1 °C
Index of Refraction: 1.628
Molar Refractivity: 108.4±0.5 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.14
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.00
Polar Surface Area: 241 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 305.4±7.0 cm3

Click to predict properties on the Chemicalize site


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