ChemSpider 2D Image | Ins(3,4,5,6)P4 | C6H16O18P4

Ins(3,4,5,6)P4

  • Molecular FormulaC6H16O18P4
  • Average mass500.076 Da
  • Monoisotopic mass499.928711 Da
  • ChemSpider ID108765
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(1S,2R,3R,4S,5R,6S)-5,6-Dihydroxy-1,2,3,4-cyclohexanetetrayl tetrakis[dihydrogen (phosphate)] [ACD/IUPAC Name]
(1S,2R,3R,4S,5R,6S)-5,6-Dihydroxy-1,2,3,4-cyclohexantetrayltetrakis[dihydrogen(phosphat)] [German] [ACD/IUPAC Name]
(1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]
1,2,3,4,5,6-Cyclohexanehexol, 1,2,3,4-tetrakis(dihydrogen phosphate), (1S,2R,3R,4S,5R,6S)- [ACD/Index Name]
1D-myo-Inositol 3,4,5,6-tetrakisphosphate
Ins(3,4,5,6)P4
Tétrakis[dihydrogéno(phosphate)] de (1S,2R,3R,4S,5R,6S)-5,6-dihydroxy-1,2,3,4-cyclohexanetétrayle [French] [ACD/IUPAC Name]
[(1R,2S,3R,4S,5S,6R)-3,4-dihydroxy-2,5,6-tris(phosphonooxy)cyclohexyl]oxyphosphonic acid
[(1R,2S,3S,4R,5S,6R)-3,4-dihydroxy-2,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
[(1S,2R,3S,4S,5R,6R)-2,3-dihydroxy-4,5,6-tris(phosphonooxy)cyclohexyl]oxyphosphonic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C04520 [DBID]
CHEBI:15844 [DBID]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 978.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.6±6.0 kJ/mol
Flash Point: 545.3±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: -4.38
ACD/LogD (pH 5.5): -12.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -16.08
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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