ChemSpider 2D Image | 1-(D-Glucopyranuronosyl)-1H-pyrazole-4-carboxylic acid | C10H12N2O8

1-(D-Glucopyranuronosyl)-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC10H12N2O8
  • Average mass288.211 Da
  • Monoisotopic mass288.059357 Da
  • ChemSpider ID58994403

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-(D-Glucopyranuronosyl)-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(D-Glucopyranuronosyl)-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-D-glucopyranuronosyl- [ACD/Index Name]
Acide 1-(D-glucopyranuronosyl)-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 715.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.5±32.9 °C
Index of Refraction: 1.768
Molar Refractivity: 57.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.04
ACD/LogD (pH 5.5): -4.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 101.9±7.0 dyne/cm
Molar Volume: 139.6±7.0 cm3

Click to predict properties on the Chemicalize site


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