ChemSpider 2D Image | phosphatidylinositol 4-phosphate | C11H20O16P2

phosphatidylinositol 4-phosphate

  • Molecular FormulaC11H20O16P2
  • Average mass470.214 Da
  • Monoisotopic mass470.022644 Da
  • ChemSpider ID21436303

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(2R)-3-[(Hydroxy{[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propandiyldiformiat [German] [ACD/IUPAC Name]
(2R)-3-[(Hydroxy{[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl diformate [ACD/IUPAC Name]
Diformiate de (2R)-3-[(hydroxy{[(2R,3R,5S,6R)-2,3,5,6-tétrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
phosphatidylinositol 4-phosphate
Phosphoric acid, (2R)-2,3-bis(formyloxy)propyl (2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl ester [ACD/Index Name]
1-(3-sn-phosphatidylinositol)-L-myoinositol-4-phosphate
C037178
phosphatidylinositol 4-monophosphate
PtdINS4P

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point: 769.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.7±6.0 kJ/mol
Flash Point: 419.2±35.7 °C
Index of Refraction: 1.578
Molar Refractivity: 84.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -2.07
ACD/LogD (pH 5.5): -8.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 102.2±5.0 dyne/cm
Molar Volume: 254.2±5.0 cm3

Click to predict properties on the Chemicalize site


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