ChemSpider 2D Image | (1S,3S,4R,6S)-2,4,5,6-Tetrahydroxy-1,3-cyclohexanediyl bis[dihydrogen (phosphate)] | C6H14O12P2

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

  • Molecular FormulaC6H14O12P2
  • Average mass340.116 Da
  • Monoisotopic mass339.996063 Da
  • ChemSpider ID107562711

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1S,3S,4R,6S)-2,4,5,6-Tetrahydroxy-1,3-cyclohexandiylbis[dihydrogen(phosphat)] [German] [ACD/IUPAC Name]
(1S,3S,4R,6S)-2,4,5,6-Tetrahydroxy-1,3-cyclohexanediyl bis[dihydrogen (phosphate)] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, 1,3-bis(dihydrogen phosphate), (1S,3S,4R,6S)- [ACD/Index Name]
Bis[dihydrogéno(phosphate)] de (1S,3S,4R,6S)-2,4,5,6-tétrahydroxy-1,3-cyclohexanediyle [French] [ACD/IUPAC Name]
27216-57-5 [RN]
myo-inositol (2,4) bisphosphate

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

Density: 2.2±0.1 g/cm3
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: 1.641
Molar Refractivity: 56.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -8.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 234 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 145.9±5.0 dyne/cm
Molar Volume: 157.7±5.0 cm3

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