ChemSpider 2D Image | 5-O-Phosphono-2-C-[(phosphonooxy)methyl]-D-(O~1~-~2~H)arabinonic acid | C6H13DO13P2

5-O-Phosphono-2-C-[(phosphonooxy)methyl]-D-(O1-2H)arabinonic acid

  • Molecular FormulaC6H13DO13P2
  • Average mass357.121 Da
  • Monoisotopic mass356.997253 Da
  • ChemSpider ID65793382

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

5-O-Phosphono-2-C-[(phosphonooxy)methyl]-D-(O1-2H)arabinonic acid [ACD/IUPAC Name]
5-O-Phosphono-2-C-[(phosphonooxy)methyl]-D-(O1-2H)arabinonsäure [German] [ACD/IUPAC Name]
Acide 5-O-phosphono-2-C-[(phosphonooxy)méthyl]-D-(O1-2H)arabinonique [French] [ACD/IUPAC Name]
D-Arabinonic acid-O1-d, 2-C-[(phosphonooxy)methyl]-, 5-(dihydrogen phosphate) [ACD/Index Name]
2-carboxy-d-ribitol 1,5-bisphosphate

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

Density: 2.1±0.1 g/cm3
Boiling Point: 889.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.9±6.0 kJ/mol
Flash Point: 491.9±37.1 °C
Index of Refraction: 1.630
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.57
ACD/LogD (pH 5.5): -9.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 251 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 150.3±3.0 dyne/cm
Molar Volume: 166.6±3.0 cm3

Click to predict properties on the Chemicalize site


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