ChemSpider 2D Image | myo-inositol 1,3,4,6-tetrakisphosphate | C6H16O18P4

myo-inositol 1,3,4,6-tetrakisphosphate

  • Molecular FormulaC6H16O18P4
  • Average mass500.076 Da
  • Monoisotopic mass499.928711 Da
  • ChemSpider ID17216082
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(1R,2R,3r,4S,5S,6s)-3,6-Dihydroxy-1,2,4,5-cyclohexanetetrayl tetrakis[dihydrogen (phosphate)] [ACD/IUPAC Name]
(1R,2R,3r,4S,5S,6s)-3,6-Dihydroxy-1,2,4,5-cyclohexantetrayltetrakis[dihydrogen(phosphat)] [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, 1,2,4,5-tetrakis(dihydrogen phosphate), (1α,2β,3α,4β,5α,6α)- [ACD/Index Name]
myo-inositol 1,3,4,6-tetrakisphosphate
Tétrakis[dihydrogéno(phosphate)] de (1R,2R,3r,4S,5S,6s)-3,6-dihydroxy-1,2,4,5-cyclohexanetétrayle [French] [ACD/IUPAC Name]
1D-Myo-inositol 1,3,4,6-tetrakisphosphic acid
D-myo-inositol 1,3,4,5-tetrakis-*phosphate potass
(1S,3R,4R,6S)-1,3,4,6-TETRAPKISPHOSPHATE
[(1R,2s,3S,4S,5r,6R)-2,5-dihydroxy-3,4,6-tris(phosphonooxy)cyclohexyl]oxyphosphonic acid
{[(1R,2s,3S,4S,5r,6R)-2,5-dihydroxy-3,4,6-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1015.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.0±6.0 kJ/mol
Flash Point: 568.0±37.1 °C
Index of Refraction: 1.633
Molar Refractivity: 76.9±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.30
ACD/LogD (pH 5.5): -12.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -15.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 347 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 159.0±5.0 dyne/cm
Molar Volume: 215.5±5.0 cm3

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