ChemSpider 2D Image | Diphosphoric acid, mono[(1beta,2alpha,3alpha,4alpha,5beta,6alpha)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl] ester, ion(7-) | C6H12O27P7

Diphosphoric acid, mono[(1β,2α,3α,4α,5β,6α)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl] ester, ion(7-)

  • Molecular FormulaC6H12O27P7
  • Average mass732.964 Da
  • Monoisotopic mass732.776733 Da
  • ChemSpider ID21169295
  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

Diphosphoric acid, mono[(1β,2α,3α,4α,5β,6α)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl] ester, ion(7-) [ACD/Index Name]
[(2S,3R,5R,6S)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphono hydrogen phosphate

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

nchembio.2007.52-comp3 [DBID]

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

Density:
Boiling Point: 1246.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 200.9±6.0 kJ/mol
Flash Point: 707.4±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 27
#H bond donors: 13
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -9.71
ACD/LogD (pH 5.5): -20.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -25.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 536 Å2
Polarizability:
Surface Tension:
Molar Volume:

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