ChemSpider 2D Image | 4-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-beta-D-glucopyranuronic acid | C14H23NO12

4-O-(2-Acetamido-2-deoxy-α-D-glucopyranosyl)-β-D-glucopyranuronic acid

  • Molecular FormulaC14H23NO12
  • Average mass397.332 Da
  • Monoisotopic mass397.122040 Da
  • ChemSpider ID88294659
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

4-O-(2-Acetamido-2-deoxy-α-D-glucopyranosyl)-β-D-glucopyranuronic acid [ACD/IUPAC Name]
4-O-(2-Acetamido-2-desoxy-α-D-glucopyranosyl)-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 4-O-(2-acétamido-2-désoxy-α-D-glucopyranosyl)-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 4-O-[2-(acetylamino)-2-deoxy-α-D-glucopyranosyl]- [ACD/Index Name]
(2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid
2-acetamido-2-deoxy-α-D-gluco-hexopyranosyl-(1->4)-β-D-gluco-hexopyranuronic acid
missing
WURCS=2.0/2,2,1/[a2122A-1b1-5][a2122h-1a1-5_2*NCC/3=O]/1-2/a4-b1
  • Miscellaneous
    • Chemical Class:

      An amino disaccharide consisting of 2-acetamido-2-deoxy-alpha-D-glucopyranose and-beta-D-glucopyranuronic acid residues joined in sequence by a (1->4) glycosidic bond. ChEBI CHEBI:150151

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

Density: 1.7±0.1 g/cm3
Boiling Point: 832.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.6±6.0 kJ/mol
Flash Point: 457.2±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 82.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -4.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 101.6±5.0 dyne/cm
Molar Volume: 230.0±5.0 cm3

Click to predict properties on the Chemicalize site






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