ChemSpider 2D Image | 1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate | C45H80O16P2

1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate

  • Molecular FormulaC45H80O16P2
  • Average mass939.055 Da
  • Monoisotopic mass938.492188 Da
  • ChemSpider ID30786283

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R)-3-[(Hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propandiyl-(9Z,12Z,9'Z,12'Z)bis(-9,12-octadecadienoat) [German] [ACD/IUPAC Name]
(2R)-3-[(Hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyl (9Z,12Z,9'Z,12'Z)bis(-9,12-octadecadienoate) [ACD/IUPAC Name]
(9Z,12Z,9'Z,12'Z)Bis(-9,12-octadécadiénoate) de (2R)-3-[(hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tétrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate
9,12-Octadecadienoic acid, (1R)-2-[[hydroxy[[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy]phosphinyl]oxy]-1-[[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
(2R)-3-[(hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl (9Z,12Z,9'Z,12'Z)bis-octadeca-9,12-dienoate
1,2-bis(9Z,12Z)-octadecadienoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate
1,2-dilinoleoyl-phosphatidylinositol 5-phosphate
Phosphatidylinositol Phosphate(18:2/18:2)
Phosphatidylinositol Phosphate(18:2n6/18:2n6)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 959.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.5±6.0 kJ/mol
Flash Point: 534.2±37.1 °C
Index of Refraction: 1.537
Molar Refractivity: 241.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 4
ACD/LogP: 13.08
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 531.09
ACD/KOC (pH 5.5): 157.13
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 98.60
ACD/KOC (pH 7.4): 29.17
Polar Surface Area: 276 Å2
Polarizability: 95.6±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 772.2±5.0 cm3

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