ChemSpider 2D Image | 3-O-Phosphono-D-gluconic acid | C6H13O10P

3-O-Phosphono-D-gluconic acid

  • Molecular FormulaC6H13O10P
  • Average mass276.135 Da
  • Monoisotopic mass276.024628 Da
  • ChemSpider ID67492383
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3-O-Phosphono-D-gluconic acid [ACD/IUPAC Name]
3-O-Phosphono-D-gluconsäure [German] [ACD/IUPAC Name]
Acide 3-O-phosphono-D-gluconique [French] [ACD/IUPAC Name]
D-Gluconic acid, 3-(dihydrogen phosphate) [ACD/Index Name]
3-phosphogluconic acid

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

Density: 2.0±0.1 g/cm3
Boiling Point: 800.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.6±6.0 kJ/mol
Flash Point: 438.0±37.1 °C
Index of Refraction: 1.623
Molar Refractivity: 49.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.20
ACD/LogD (pH 5.5): -8.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 134.6±3.0 dyne/cm
Molar Volume: 139.3±3.0 cm3

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