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Search term: MF = 'C_{45}H_{82}O_{13}P'
ChemSpider 2D Image | (2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(stearoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate | C45H82O13P

(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(stearoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

  • Molecular FormulaC45H82O13P
  • Average mass862.099 Da
  • Monoisotopic mass861.549866 Da
  • ChemSpider ID30786181

  • Charge - Charge

    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-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(stearoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate [ACD/IUPAC Name]
(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(stearoyloxy)propyl-(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexylphosphat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (1R)-2-[[hydroxy[[(1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl]oxy]phosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, ion(1-), (9Z,12Z )- [ACD/Index Name]
Phosphate de (2R)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-(stearoyloxy)propyle et de (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
18:0/18:2(ω-6) PtdIns(1-)
1-octadecanoyl-2-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phospho-1D-myo-inositol
1-octadecanoyl-2-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phospho-1D-myo-inositol (1-)
1-oleoyl-2-linoleoyl-GPI
1-oleoyl-2-linoleoyl-GPI (18:1/18:2)
More...
  • Miscellaneous

    • Chemical Class:

      A 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) in which the 2-acyl group is specified as linoleoyl. ChEBI CHEBI:77158

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

Density:
Boiling Point: 870.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.7±6.0 kJ/mol
Flash Point: 480.2±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 4
ACD/LogP: 14.25
ACD/LogD (pH 5.5): 8.64
ACD/BCF (pH 5.5): 324227.94
ACD/KOC (pH 5.5): 32345.92
ACD/LogD (pH 7.4): 8.57
ACD/BCF (pH 7.4): 280074.59
ACD/KOC (pH 7.4): 27941.05
Polar Surface Area: 222 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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