ChemSpider 2D Image | 2,5-Anhydro-1,6-di-O-phosphono-D-allitol | C6H14O11P2

2,5-Anhydro-1,6-di-O-phosphono-D-allitol

  • Molecular FormulaC6H14O11P2
  • Average mass324.116 Da
  • Monoisotopic mass324.001129 Da
  • ChemSpider ID76920187

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,5-Anhydro-1,6-di-O-phosphono-D-allitol [German] [ACD/IUPAC Name]
2,5-Anhydro-1,6-di-O-phosphono-D-allitol [ACD/IUPAC Name]
2,5-Anhydro-1,6-di-O-phosphono-D-allitol [French] [ACD/IUPAC Name]
D-Allitol, 2,5-anhydro-, 1,6-bis(dihydrogen phosphate) [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 705.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.9±6.0 kJ/mol
Flash Point: 380.3±35.7 °C
Index of Refraction: 1.586
Molar Refractivity: 56.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -7.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 107.4±3.0 dyne/cm
Molar Volume: 166.9±3.0 cm3

Click to predict properties on the Chemicalize site


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