ChemSpider 2D Image | 1-linoleoyl-sn-glycero-3-phospho-D-myo-inositol | C27H49O12P

1-linoleoyl-sn-glycero-3-phospho-D-myo-inositol

  • Molecular FormulaC27H49O12P
  • Average mass596.644 Da
  • Monoisotopic mass596.296143 Da
  • ChemSpider ID58163600

  • 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)-2-Hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (2R)-2-hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyle [French] [ACD/IUPAC Name]
1-linoleoyl-sn-glycero-3-phospho-D-myo-inositol
9,12-Octadecadienoic acid, (2R)-2-hydroxy-3-[[hydroxy[[(1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl]oxy]phosphinyl]oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]
(2R)-2-hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate
1-(9Z,12Z-octadecadienoyl)-glycero-3-phospho-(1'-myo-inositol)
1-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phospho-D-myo-inositol
1-linoleoyl-GPI
1-linoleoyl-GPI (18:2)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 742.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.5±6.0 kJ/mol
Flash Point: 402.7±35.7 °C
Index of Refraction: 1.549
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 5.15
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 464.0±5.0 cm3

Click to predict properties on the Chemicalize site


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