ChemSpider 2D Image | (4xi)-2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-D-xylo-hexopyranose | C14H23NO12

(4ξ)-2-Acetamido-2-deoxy-3-O-β-D-glucopyranuronosyl-D-xylo-hexopyranose

  • Molecular FormulaC14H23NO12
  • Average mass397.332 Da
  • Monoisotopic mass397.122040 Da
  • ChemSpider ID128918962

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(4ξ)-2-Acetamido-2-deoxy-3-O-β-D-glucopyranuronosyl-D-xylo-hexopyranose [ACD/IUPAC Name]
(4ξ)-2-Acetamido-2-desoxy-3-O-β-D-glucopyranuronosyl-D-xylo-hexopyranose [German] [ACD/IUPAC Name]
(4ξ)-2-Acétamido-2-désoxy-3-O-β-D-glucopyranuronosyl-D-xylo-hexopyranose [French] [ACD/IUPAC Name]
D-xylo-Hexopyranose, 2-(acetylamino)-2-deoxy-3-O-β-D-glucopyranuronosyl-, (4ξ)- [ACD/Index 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: 855.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.4±6.0 kJ/mol
Flash Point: 471.3±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: -4.17
ACD/LogD (pH 5.5): -6.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.87
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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