ChemSpider 2D Image | Inositol pentakisphosphate | C6H7O21P5

Inositol pentakisphosphate

  • Molecular FormulaC6H7O21P5
  • Average mass569.982 Da
  • Monoisotopic mass569.822266 Da
  • ChemSpider ID19951265

  • 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,6r)-6-Hydroxy-1,2,3,4,5-cyclohexanepentayl pentakis(phosphate) [ACD/IUPAC Name]
(1R,2S,3r,4R,5S,6r)-6-Hydroxy-1,2,3,4,5-cyclohexanpentaylpentakis(phosphat) [German] [ACD/IUPAC Name]
(1R,2S,3r,4R,5S,6r)-6-Hydroxycyclohexane-1,2,3,4,5-pentayl pentakis(phosphate)
1,2,3,4,5,6-Cyclohexanehexol, 1,2,3,4,5-pentakis(dihydrogen phosphate), ion(10-), (1α,2β,3α,4β,5α,6α)- [ACD/Index Name]
Inositol pentakisphosphate
Pentakis(phosphate) de (1R,2S,3r,4R,5S,6r)-6-hydroxy-1,2,3,4,5-cyclohexanepentayle [French] [ACD/IUPAC Name]
1D-myo-inositol (1,3,4,5,6)-pentakisphosphate
1D-myo-inositol 1,3,4,5,6-pentakisphosphate
1D-myo-inositol 1,3,4,5,6-pentakisphosphate
25663-09-6 [RN]
More...

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

7685231 [DBID]
  • Miscellaneous

    • Chemical Class:

      The anion obtained from global deprotonation of the phosphate OH groups of myo-inositol 1,3,4,5,6-pentakisphosphate; major species at pH 7.3. ChEBI CHEBI:57733

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

Density:
Boiling Point: 1106.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 183.8±6.0 kJ/mol
Flash Point: 622.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -6.28
ACD/LogD (pH 5.5): -15.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -19.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 431 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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