ChemSpider 2D Image | (1R,2s,3S,4R,5s,6S)-2,4,5,6-Tetrahydroxy-1,3-cyclohexanediyl bis(phosphate) | C6H10O12P2

(1R,2s,3S,4R,5s,6S)-2,4,5,6-Tetrahydroxy-1,3-cyclohexanediyl bis(phosphate)

  • Molecular FormulaC6H10O12P2
  • Average mass336.086 Da
  • Monoisotopic mass335.966949 Da
  • ChemSpider ID34448722

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2s,3S,4R,5s,6S)-2,4,5,6-Tetrahydroxy-1,3-cyclohexandiylbis(phosphat) [German] [ACD/IUPAC Name]
(1R,2s,3S,4R,5s,6S)-2,4,5,6-Tetrahydroxy-1,3-cyclohexanediyl bis(phosphate) [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, 1,3-bis(dihydrogen phosphate), ion(4-), (1α,2α,3α,4β,5α,6β)- [ACD/Index Name]
Bis(phosphate) de (1R,2s,3S,4R,5s,6S)-2,4,5,6-tétrahydroxy-1,3-cyclohexanediyle [French] [ACD/IUPAC Name]
1D-myo-inositol 1,3-biphosphate
1D-myo-inositol 1,3-biphosphate(4-)
1D-myo-Inositol 1,3-bisphosphate
  • Miscellaneous

    • Chemical Class:

      An inositol phosphate oxoanion obtained by deprotonation of the phospho groups of 1D-myo-inositol 1,3-biphosphate; major species at pH 7.3. ChEBI CHEBI:83242

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

Density:
Boiling Point: 725.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.1±6.0 kJ/mol
Flash Point: 392.8±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -8.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability:
Surface Tension:
Molar Volume:

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