ChemSpider 2D Image | 1-diphospho-1D-myo-inositol 2,3,4,5,6-pentakisphosphate | C6H19O27P7

1-diphospho-1D-myo-inositol 2,3,4,5,6-pentakisphosphate

  • Molecular FormulaC6H19O27P7
  • Average mass740.015 Da
  • Monoisotopic mass739.827698 Da
  • ChemSpider ID26333208

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-Pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate [ACD/IUPAC Name]
(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-Pentakis(phosphonooxy)cyclohexyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
1-diphospho-1D-myo-inositol 2,3,4,5,6-pentakisphosphate
Diphosphoric acid, mono[(1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyle [French] [ACD/IUPAC Name]
148077-18-3 [RN]
1-Diphosinositol pentakisphosphate
1-Dpipk
1-PP-IP5
2,3,4,5,6-pentakis-O-phosphono-1D-myo-inositol 1-(trihydrogen diphosphate)
More...
  • Miscellaneous

    • Chemical Class:

      A <ital>myo</ital>-inositol pentakisphosphate that consists of <stereo>myo</stereo>-inositol having the five phospho groups located at positions 2, 3, 4, 5 and 6 as well as a diphospho group at positi on 1. ChEBI CHEBI:62919
      A myo-inositol pentakisphosphate that consists of myo-inositol having the five phospho groups located at positions 2, 3, 4, 5 and 6 as well as a diphospho group at positi; on 1. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62919
      A myo-inositol pentakisphosphate that consists of myo-inositol having the five phospho groups located at positions 2, 3, 4, 5 and 6 as well as a diphospho group at position 1. ChEBI CHEBI:62919

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

Density: 2.5±0.1 g/cm3
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: 1.629
Molar Refractivity: 107.0±0.4 cm3
#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: 516 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 172.6±5.0 dyne/cm
Molar Volume: 301.1±5.0 cm3

Click to predict properties on the Chemicalize site


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