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

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

  • Molecular FormulaC6H10O12P2
  • Average mass336.086 Da
  • Monoisotopic mass335.966949 Da
  • ChemSpider ID58145082

  • Charge - Charge

    defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(2R,3R,5R,6S)-2,3,5,6-Tetrahydroxy-1,4-cyclohexandiylbis(phosphat) [German] [ACD/IUPAC Name]
(2R,3R,5R,6S)-2,3,5,6-Tetrahydroxy-1,4-cyclohexanediyl bis(phosphate) [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, 1,4-bis(dihydrogen phosphate), ion(4-), (2R,3R,5R,6S)- [ACD/Index Name]
Bis(phosphate) de (2R,3R,5R,6S)-2,3,5,6-tétrahydroxy-1,4-cyclohexanediyle [French] [ACD/IUPAC Name]
[(2R,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-phosphonatooxycyclohexyl] phosphate
1,4,-IP2
1D-myo-Inositol 1,4-bisphosphate
inositol 1,4-bis(phosphate)

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: -1.67
ACD/LogD (pH 5.5): -8.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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