ChemSpider 2D Image | (1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-Cyclohexanehexayl hexakis[dihydrogen (phosphate)] | C6H18O24P6

(1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-Cyclohexanehexayl hexakis[dihydrogen (phosphate)]

  • Molecular FormulaC6H18O24P6
  • Average mass660.035 Da
  • Monoisotopic mass659.861389 Da
  • ChemSpider ID21472515

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-Cyclohexanehexayl hexakis[dihydrogen (phosphate)] [ACD/IUPAC Name]
(1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-Cyclohexanhexaylhexakis[dihydrogen(phosphat)] [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, hexakis(dihydrogen phosphate), (1α,2α,3β,4α,5β,6β)- [ACD/Index Name]
Hexakis[dihydrogéno(phosphate)] de (1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-cyclohexanehexayle [French] [ACD/IUPAC Name]
IHP
inositol hexakisphosphate
Inositol hexaphosphoric acid
Phytic acid

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

Density: 2.4±0.1 g/cm3
Boiling Point: 1190.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 190.9±6.0 kJ/mol
Flash Point: 673.9±37.1 °C
Index of Refraction: 1.629
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 24
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -8.47
ACD/LogD (pH 5.5): -18.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -23.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 459 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 168.6±5.0 dyne/cm
Molar Volume: 272.7±5.0 cm3

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