ChemSpider 2D Image | (1R,2S,3R,4S,5S,6R)-6-Hydroxy-1,2,3,4,5-cyclohexanepentayl pentakis(phosphate) | C6H7O21P5

(1R,2S,3R,4S,5S,6R)-6-Hydroxy-1,2,3,4,5-cyclohexanepentayl pentakis(phosphate)

  • Molecular FormulaC6H7O21P5
  • Average mass569.982 Da
  • Monoisotopic mass569.822266 Da
  • ChemSpider ID128921060

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3R,4S,5S,6R)-6-Hydroxy-1,2,3,4,5-cyclohexanepentayl pentakis(phosphate) [ACD/IUPAC Name]
(1R,2S,3R,4S,5S,6R)-6-Hydroxy-1,2,3,4,5-cyclohexanpentaylpentakis(phosphat) [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, 1,2,3,4,5-pentakis(dihydrogen phosphate), ion(10-), (1α,2α,3α,4β,5α,6β)- [ACD/Index Name]
Pentakis(phosphate) de (1R,2S,3R,4S,5S,6R)-6-hydroxy-1,2,3,4,5-cyclohexanepentayle [French] [ACD/IUPAC Name]
myo-inositol (1,2,3,4,5)-pentakisphosphate
1-myo-inositol (1,2,3,4,5)-pentakisphosphate
1D-myo-inositol (1,2,3,4,5)-pentakisphosphate
1L-myo-inositol (1,2,3,4,5)-pentakisphosphate
I(1,2,3,4,5)P5
inositol (1,2,3,4,5)-pentakisphosphate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 1106.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 183.8±6.0 kJ/mol
Flash Point: 622.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -6.28
ACD/LogD (pH 5.5): -15.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -19.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 431 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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