ChemSpider 2D Image | 1-O-Phosphono-beta-D-idopyranuronic acid | C6H11O10P

1-O-Phosphono-β-D-idopyranuronic acid

  • Molecular FormulaC6H11O10P
  • Average mass274.119 Da
  • Monoisotopic mass274.008972 Da
  • ChemSpider ID27472102

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-Phosphono-β-D-idopyranuronic acid [ACD/IUPAC Name]
1-O-Phosphono-β-D-idopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-phosphono-β-D-idopyranuronique [French] [ACD/IUPAC Name]
β-D-Idopyranuronic acid, 1-(dihydrogen phosphate) [ACD/Index Name]
13168-11-1 [RN]
A-D-GLUCURONIC ACID-1-PHOSPHATE

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

Density: 2.1±0.1 g/cm3
Boiling Point: 685.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±6.0 kJ/mol
Flash Point: 368.2±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 47.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -7.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 128.9±5.0 dyne/cm
Molar Volume: 133.5±5.0 cm3

Click to predict properties on the Chemicalize site


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