ChemSpider 2D Image | PIP3 | C12H24O22P4

PIP3

  • Molecular FormulaC12H24O22P4
  • Average mass644.201 Da
  • Monoisotopic mass643.970947 Da
  • ChemSpider ID34980938

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2-{[{[(1S,2S,3R,4S,5S,6S)-2,6-Dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-1,1-ethandiyl-diacetat [German] [ACD/IUPAC Name]
2-{[{[(1S,2S,3R,4S,5S,6S)-2,6-Dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-1,1-ethanediyl diacetate [ACD/IUPAC Name]
Diacétate de 2-{[{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-1,1-éthanediyle [French] [ACD/IUPAC Name]
Phosphoric acid, 2,2-bis(acetyloxy)ethyl (1α,2α,3α,4β,5α,6β)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl ester [ACD/Index Name]
PIP3
[(1S,2S,3S,4S,5R,6S)-3-{[2,2-bis(acetyloxy)ethoxy(hydroxy)phosphoryl]oxy}-2,4-dihydroxy-5,6-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid
{[(1S,2S,3S,4S,5R,6S)-3-({[2,2-bis(acetyloxy)ethoxy](hydroxy)phosphoryl}oxy)-2,4-dihydroxy-5,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-bisphosphate)
1-Phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate
phosphati?dylinosit?ol-3,4,5-?trisphosp?hate
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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, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point: 964.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.3±6.0 kJ/mol
Flash Point: 537.3±37.1 °C
Index of Refraction: 1.579
Molar Refractivity: 108.6±0.4 cm3
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -4.01
ACD/LogD (pH 5.5): -12.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -14.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 388 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 109.6±5.0 dyne/cm
Molar Volume: 327.0±5.0 cm3

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