ChemSpider 2D Image | (1R,2R,3S,4R,5S,6S)-5,6-Dihydroxy-1,2,3,4-cyclohexanetetrayl tetrakis(phosphate) | C6H8O18P4

(1R,2R,3S,4R,5S,6S)-5,6-Dihydroxy-1,2,3,4-cyclohexanetetrayl tetrakis(phosphate)

  • Molecular FormulaC6H8O18P4
  • Average mass492.016 Da
  • Monoisotopic mass491.870483 Da
  • ChemSpider ID128920636

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,3S,4R,5S,6S)-5,6-Dihydroxy-1,2,3,4-cyclohexanetetrayl tetrakis(phosphate) [ACD/IUPAC Name]
(1R,2R,3S,4R,5S,6S)-5,6-Dihydroxy-1,2,3,4-cyclohexantetrayltetrakis(phosphat) [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, 1,2,3,4-tetrakis(dihydrogen phosphate), ion(8-), (1R,2R,3S,4R,5S,6S)- [ACD/Index Name]
Tétrakis(phosphate) de (1R,2R,3S,4R,5S,6S)-5,6-dihydroxy-1,2,3,4-cyclohexanetétrayle [French] [ACD/IUPAC Name]
1D-myo-inositol (1,2,3,6) tetrakisphosphate
I(1,2,3,6)P4
Ins(1,2,3,6)P4

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

Density:
Boiling Point: 978.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.6±6.0 kJ/mol
Flash Point: 545.3±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.38
ACD/LogD (pH 5.5): -12.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -16.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 369 Å2
Polarizability:
Surface Tension:
Molar Volume:

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