ChemSpider 2D Image | (2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate | C45H84O13P

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

  • Molecular FormulaC45H84O13P
  • Average mass864.115 Da
  • Monoisotopic mass863.565491 Da
  • ChemSpider ID30786185

  • 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)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate [ACD/IUPAC Name]
(2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(stearoyloxy)propyl-(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexylphosphat [German] [ACD/IUPAC Name]
9-Octadecenoic 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)- [ACD/Index Name]
Phosphate de (2R)-2-[(9Z)-9-octadecenoyloxy]-3-(stearoyloxy)propyle et de (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
(2R)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
18:0/18:1(ω-9) PtdIns(1-)
1-octadecanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phospho-1D-myo-inositol
1-octadecanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phospho-1D-myo-inositol(1-)
1-stearoyl-2-oleoyl-phosphatidylinositol(1-)
1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol(1-)
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 oleoyl. ChEBI CHEBI:77163

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

Density:
Boiling Point: 867.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.3±6.0 kJ/mol
Flash Point: 478.6±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 4
ACD/LogP: 14.77
ACD/LogD (pH 5.5): 8.64
ACD/BCF (pH 5.5): 323009.19
ACD/KOC (pH 5.5): 32258.85
ACD/LogD (pH 7.4): 8.57
ACD/BCF (pH 7.4): 279021.81
ACD/KOC (pH 7.4): 27865.84
Polar Surface Area: 222 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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