ChemSpider 2D Image | Inositol hexaphosphate | C6H6O24P6

Inositol hexaphosphate

  • Molecular FormulaC6H6O24P6
  • Average mass647.947 Da
  • Monoisotopic mass647.774048 Da
  • ChemSpider ID18505485

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanehexayl hexakis(phosphate) [ACD/IUPAC Name]
(1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanhexaylhexakis(phosphat) [German] [ACD/IUPAC Name]
(1R,2S,3r,4R,5S,6s)-Cyclohexane-1,2,3,4,5,6-hexayl hexakis(phosphate)
1,2,3,4,5,6-Cyclohexanehexol, hexakis(dihydrogen phosphate), ion(12-), (1α,2α,3α,4β,5α,6β)- [ACD/Index Name]
Hexakis(phosphate) de (1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-cyclohexanehexayle [French] [ACD/IUPAC Name]
Inositol hexakis(phosphate)
inositol hexakisphosphate
Inositol hexaphosphate
myo-Inositol hexakis(phosphate)
MYO-INOSITOL HEXAKISPHOSPHAT
More...

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

3886124 [DBID]
  • Miscellaneous

    • Chemical Class:

      The organophosphate oxoanion formed by loss of 2 protons from each of the phosphate groups of 1D-myo-inositol. ChEBI CHEBI:58130

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

Density:
Boiling Point: 1190.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 190.9±6.0 kJ/mol
Flash Point: 673.9±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 24
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -8.47
ACD/LogD (pH 5.5): -18.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -23.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 493 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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