ChemSpider 2D Image | Digalacturonic acid | C12H18O13

Digalacturonic acid

  • Molecular FormulaC12H18O13
  • Average mass370.263 Da
  • Monoisotopic mass370.074738 Da
  • ChemSpider ID62989777

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4-O-α-D-Galactopyranuronosyl-D-galacturonic acid [ACD/IUPAC Name]
4-O-α-D-Galactopyranuronosyl-D-galacturonsäure [German] [ACD/IUPAC Name]
5894-59-7 [RN]
Acide 4-O-α-D-galactopyranuronosyl-D-galacturonique [French] [ACD/IUPAC Name]
D-Galacturonic acid, 4-O-α-D-galactopyranuronosyl- [ACD/Index Name]
Digalacturonic acid

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

Density: 1.9±0.1 g/cm3
Boiling Point: 829.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.2±6.0 kJ/mol
Flash Point: 307.6±27.8 °C
Index of Refraction: 1.650
Molar Refractivity: 71.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.99
ACD/LogD (pH 5.5): -7.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 126.2±5.0 dyne/cm
Molar Volume: 196.6±5.0 cm3

Click to predict properties on the Chemicalize site


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