ChemSpider 2D Image | (1R,2S,4S,5S)-6-Hydroxy-1,2,3,4,5-cyclohexanepentayl pentakis[dihydrogen (phosphate)] | C6H17O21P5

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

  • Molecular FormulaC6H17O21P5
  • Average mass580.055 Da
  • Monoisotopic mass579.895020 Da
  • ChemSpider ID7827521
  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R,2S,4S,5S)-6-Hydroxy-1,2,3,4,5-cyclohexanepentayl pentakis[dihydrogen (phosphate)] [ACD/IUPAC Name]
(1R,2S,4S,5S)-6-Hydroxy-1,2,3,4,5-cyclohexanpentaylpentakis[dihydrogen(phosphat)] [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, 1,2,3,4,5-pentakis(dihydrogen phosphate), (1R,2S,4S,5S)- [ACD/Index Name]
Pentakis[dihydrogéno(phosphate)] de (1R,2S,4S,5S)-6-hydroxy-1,2,3,4,5-cyclohexanepentayle [French] [ACD/IUPAC Name]
1D-myo-inositol 1,2,3,4,5-pentakis(dihydrogen phosphate)
1D-myo-Inositol 1,2,3,4,5-pentakisphosphate
1L-myo-Inositol 1,2,3,4,5-pentakisphosphate
D-myo-Inositol 1,2,3,4,5-pentakisphosphate
Inositol 1,2,3,4,5-pentakisphosphate
L-myo-Inositol 1,2,3,4,5-pentakisphosphate

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

C04579 [DBID]
CHEBI:18345 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.4±0.1 g/cm3
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: 1.631
Molar Refractivity: 86.9±0.4 cm3
#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: 403 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 164.1±5.0 dyne/cm
Molar Volume: 244.2±5.0 cm3

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