ChemSpider 2D Image | 2-O-beta-D-Glucopyranuronosyl-D-glucopyranuronic acid | C12H18O13

2-O-β-D-Glucopyranuronosyl-D-glucopyranuronic acid

  • Molecular FormulaC12H18O13
  • Average mass370.263 Da
  • Monoisotopic mass370.074738 Da
  • ChemSpider ID30791403
  • defined stereocentres - 9 of 10 defined stereocentres


More details:






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

2-O-β-D-Glucopyranuronosyl-D-glucopyranuronic acid [ACD/IUPAC Name]
2-O-β-D-Glucopyranuronosyl-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 2-O-β-D-glucopyranuronosyl-D-glucopyranuronique [French] [ACD/IUPAC Name]
D-Glucopyranuronic acid, 2-O-β-D-glucopyranuronosyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 831.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.5±6.0 kJ/mol
Flash Point: 309.9±27.8 °C
Index of Refraction: 1.683
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.02
ACD/LogD (pH 5.5): -8.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 224 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 134.9±5.0 dyne/cm
Molar Volume: 187.4±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement