ChemSpider 2D Image | (2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-[(hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl stearate | C43H81O13P

(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-[(hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl stearate

  • Molecular FormulaC43H81O13P
  • Average mass837.069 Da
  • Monoisotopic mass836.541504 Da
  • ChemSpider ID24767691

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-[(hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl stearate [ACD/IUPAC Name]
(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-[(hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (2R)-3-[[hydroxy[[(1α,3α)-2,3,4,5,6-pentahydroxycyclohexyl]oxy]phosphinyl]oxy]-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester [ACD/Index Name]
Stéarate de (2R)-2-[(9Z)-9-hexadecenoyloxy]-3-[(hydroxy{[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyle [French] [ACD/IUPAC Name]
(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphinic acid
1-Octadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)
1-Stearoyl-2-palmitoleoyl-sn-glycero-3-phosphoinositol
Phosphatidylinositol(18:0/16:1)
Phosphatidylinositol(18:0/16:1n7)
Phosphatidylinositol(18:0/16:1w7)
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 852.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.8±6.0 kJ/mol
Flash Point: 469.1±37.1 °C
Index of Refraction: 1.518
Molar Refractivity: 222.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 4
ACD/LogP: 13.70
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 58670.36
ACD/KOC (pH 5.5): 9514.70
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 50680.64
ACD/KOC (pH 7.4): 8218.99
Polar Surface Area: 219 Å2
Polarizability: 88.0±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 732.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement