ChemSpider 2D Image | (1R,2R,3S,4R,5R,6S)-3,5,6-Trihydroxy-1,2,4-cyclohexanetriyl tris[hydrogen (phosphate)] | C6H12O15P3

(1R,2R,3S,4R,5R,6S)-3,5,6-Trihydroxy-1,2,4-cyclohexanetriyl tris[hydrogen (phosphate)]

  • Molecular FormulaC6H12O15P3
  • Average mass417.073 Da
  • Monoisotopic mass416.940552 Da
  • ChemSpider ID21169294

  • 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,5R,6S)-3,5,6-Trihydroxy-1,2,4-cyclohexanetriyl tris[hydrogen (phosphate)] [ACD/IUPAC Name]
(1R,2R,3S,4R,5R,6S)-3,5,6-Trihydroxy-1,2,4-cyclohexantriyltris[hydrogen(phosphat)] [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, 1,2,4-tris(dihydrogen phosphate), ion(3-), (1R,2R,3S,4R,5R,6S)- [ACD/Index Name]
Tris[hydrogéno(phosphate)] de (1R,2R,3S,4R,5R,6S)-3,5,6-trihydroxy-1,2,4-cyclohexanetriyle [French] [ACD/IUPAC Name]
[(1S,2R,3S,4S,5R,6S)-2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl] dihydrogen phosphate
1D-myo-inositol (1,4,5)-trisphosphate
I(1,4,5)P3
inositol (1,4,5)-trisphosphate
Inositol 1,4,5-trisphosphate
Ins(1,4,5)P3

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

nchembio.2007.52-comp5 [DBID]

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

Density:
Boiling Point: 877.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.9±6.0 kJ/mol
Flash Point: 484.5±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.69
ACD/LogD (pH 5.5): -9.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 299 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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