ChemSpider 2D Image | GlcNAcThrNAc | C14H24N2O9

GlcNAcThrNAc

  • Molecular FormulaC14H24N2O9
  • Average mass364.348 Da
  • Monoisotopic mass364.148193 Da
  • ChemSpider ID24606155
  • defined stereocentres - 7 of 7 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-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-glucopyranosyl}oxy)-1-hydroxy-4-oxo-2-butanyl]ethanimidsäure [German] [ACD/IUPAC Name]
Acetamide, N-[(1S,2R)-2-[[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-glucopyranosyl}oxy)-1-hydroxy-4-oxo-2-butanyl]éthanimidique [French] [ACD/IUPAC Name]
Ethanimidic acid, N-[(1S,2R)-2-[[2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-glucopyranosyl]oxy]-1-(hydroxymethyl)-3-oxopropyl]-, (1E)- [ACD/Index Name]
GlcNAcThrNAc
N-{(2S,3R)-3-[(2-Acetamido-2-deoxy-β-D-glucopyranosyl)oxy]-1-hydroxy-4-oxo-2-butanyl}acetamide [ACD/IUPAC Name]
N-{(2S,3R)-3-[(2-Acetamido-2-desoxy-β-D-glucopyranosyl)oxy]-1-hydroxy-4-oxo-2-butanyl}acetamid [German] [ACD/IUPAC Name]
N-{(2S,3R)-3-[(2-Acétamido-2-désoxy-β-D-glucopyranosyl)oxy]-1-hydroxy-4-oxo-2-butanyl}acétamide [French] [ACD/IUPAC Name]
3-acetamido-3-deoxythreose)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 709.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.5±6.0 kJ/mol
Flash Point: 382.7±35.7 °C
Index of Refraction: 1.599
Molar Refractivity: 79.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.12
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.03
Polar Surface Area: 182 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 231.1±7.0 cm3

Click to predict properties on the Chemicalize site






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