ChemSpider 2D Image | 1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol | C45H79O13P

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

  • Molecular FormulaC45H79O13P
  • Average mass859.075 Da
  • Monoisotopic mass858.525818 Da
  • ChemSpider ID30786282

  • 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{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propandiyl-(9Z,12Z,9'Z,12'Z)bis(-9,12-octadecadienoat) [German] [ACD/IUPAC Name]
(2R)-3-[(Hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]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{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol
9,12-Octadecadienoic acid, (1R)-2-[[hydroxy[[(1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl]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{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl (9Z,12Z,9'Z,12'Z)bis-octadeca-9,12-dienoate
[(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid
1,2-bis(9Z,12Z)-octadecadienoyl-sn-glycero-3-phospho-1D-myo-inositol
1,2-Di(9Z,12Z-octadecadienoyl)-rac-glycero-3-phospho-(1'-myo-inositol)
1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-myo-inositol)
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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: 877.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.9±6.0 kJ/mol
Flash Point: 484.7±37.1 °C
Index of Refraction: 1.533
Molar Refractivity: 231.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 13.21
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 5465.62
ACD/KOC (pH 5.5): 1740.10
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 4721.31
ACD/KOC (pH 7.4): 1503.13
Polar Surface Area: 219 Å2
Polarizability: 91.6±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 744.2±5.0 cm3

Click to predict properties on the Chemicalize site


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