ChemSpider 2D Image | (1S,2R,3S,4R,5R,6S)-4,5,6-Trihydroxy-1,2,3-cyclohexanetriyl tris(phosphate) | C6H9O15P3

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

  • Molecular FormulaC6H9O15P3
  • Average mass414.051 Da
  • Monoisotopic mass413.918732 Da
  • ChemSpider ID128920912

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

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

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

Density:
Boiling Point: 839.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.7±6.0 kJ/mol
Flash Point: 461.3±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: -2.94
ACD/LogD (pH 5.5): -10.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 307 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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