ChemSpider 2D Image | 2-Acetamido-2-deoxy-4-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranose | C14H23NO12

2-Acetamido-2-deoxy-4-O-β-D-glucopyranuronosyl-α-D-glucopyranose

  • Molecular FormulaC14H23NO12
  • Average mass397.332 Da
  • Monoisotopic mass397.122040 Da
  • ChemSpider ID128434193

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-4-O-β-D-glucopyranuronosyl-α-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-4-O-β-D-glucopyranuronosyl-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-4-O-β-D-glucopyranuronosyl-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 2-(acetylamino)-2-deoxy-4-O-β-D-glucopyranuronosyl- [ACD/Index Name]
(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
missing
WURCS=2.0/2,2,1/[a2122h-1a1-52*NCC/3=O][a2122A-1b_1-5]/1-2/a4-b1
β-D-gluco-hexopyranosyluronic acid-(1->4)-2-acetamido-2-deoxy-α-D-gluco-hexopyranose
  • Miscellaneous

    • Chemical Class:

      An amino disaccharide consisting of a beta-D-glucopyranuronic acid residue and an alpha-D-glucopyranose residue joined in sequence by a (1->4) glycosidic bond. ChEBI CHEBI:151617

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

Density: 1.7±0.1 g/cm3
Boiling Point: 866.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.1±6.0 kJ/mol
Flash Point: 477.8±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: -4.28
ACD/LogD (pH 5.5): -6.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.93
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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