ChemSpider 2D Image | 1D-Myo-inositol 1,3,4,5-tetrakisphosphic acid | C6H16O18P4

1D-Myo-inositol 1,3,4,5-tetrakisphosphic acid

  • Molecular FormulaC6H16O18P4
  • Average mass500.076 Da
  • Monoisotopic mass499.928711 Da
  • ChemSpider ID17216047
  • defined stereocentres - 6 of 6 defined stereocentres


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

1D-Myo-inositol 1,3,4,5-tetrakisphosphic acid
(1R,2S,3S,4S,5S,6S)-4,6-Dihydroxy-1,2,3,5-cyclohexanetetrayl tetrakis[dihydrogen (phosphate)] [ACD/IUPAC Name]
(1R,2S,3S,4S,5S,6S)-4,6-Dihydroxy-1,2,3,5-cyclohexantetrayltetrakis[dihydrogen(phosphat)] [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, 1,2,3,5-tetrakis(dihydrogen phosphate), (1α,2β,3α,4α,5α,6β)- [ACD/Index Name]
1D-myo-inositol 1,3,4,5-tetrakisphosphate
IP4
Tétrakis[dihydrogéno(phosphate)] de (1R,2S,3S,4S,5S,6S)-4,6-dihydroxy-1,2,3,5-cyclohexanetétrayle [French] [ACD/IUPAC Name]
(2r)-3-{[(R)-{[(1s,2s,3r,4s,5s,6s)-2,6-Dihydroxy-3,4,5-Tris(Phosphonooxy)cyclohexyl]oxy}(Hydroxy)phosphoryl]oxy}propane-1,2-Diyl Dioctanoate
(2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXYBUTOXY)PROPYL BUTYRATE
{[(1S,2S,3S,4S,5R,6S)-2,4-dihydroxy-3,5,6-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

IP9 [DBID]

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: -4.40
ACD/LogD (pH 5.5): -12.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -16.06
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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