ChemSpider 2D Image | (2xi)-2,6-Di-O-phosphono-D-arabino-hexonic acid | C6H14O13P2

(2ξ)-2,6-Di-O-phosphono-D-arabino-hexonic acid

  • Molecular FormulaC6H14O13P2
  • Average mass356.115 Da
  • Monoisotopic mass355.990967 Da
  • ChemSpider ID65998489

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2ξ)-2,6-Di-O-phosphono-D-arabino-hexonic acid [ACD/IUPAC Name]
(2ξ)-2,6-Di-O-phosphono-D-arabino-hexonsäure [German] [ACD/IUPAC Name]
Acide (2ξ)-2,6-di-O-phosphono-D-arabino-hexonique [French] [ACD/IUPAC Name]
D-arabino-Hexonic acid, 2,6-bis(dihydrogen phosphate), (2ξ)- [ACD/Index Name]
carboxyarabinitol 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: 1.626
Molar Refractivity: 59.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -3.45
ACD/LogD (pH 5.5): -10.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.78
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: 147.4±3.0 dyne/cm
Molar Volume: 167.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement