ChemSpider 2D Image | (2R)-3-[(Hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-({(8E)-9-[(1E,3Z)-1,3-nonadien-1-yloxy]-8-nonenoyl}oxy)propyl palmitate | C43H77O14P

(2R)-3-[(Hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-({(8E)-9-[(1E,3Z)-1,3-nonadien-1-yloxy]-8-nonenoyl}oxy)propyl palmitate

  • Molecular FormulaC43H77O14P
  • Average mass849.037 Da
  • Monoisotopic mass848.505066 Da
  • ChemSpider ID113380951

  • 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]-2-({(8E)-9-[(1E,3Z)-1,3-nonadien-1-yloxy]-8-nonenoyl}oxy)propyl palmitate [ACD/IUPAC Name]
(2R)-3-[(Hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-({(8E)-9-[(1E,3Z)-1,3-nonadien-1-yloxy]-8-nonenoyl}oxy)propylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (2R)-3-[[hydroxy[[(1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl]oxy]phosphinyl]oxy]-2-[[(8E)-9-[(1E,3Z)-1,3-nonadien-1-yloxy]-1-oxo-8-nonen-1-yl]oxy]pro pyl ester [ACD/Index Name]
Palmitate de (2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-({(8E)-9-[(1E,3Z)-1,3-nonadién-1-yloxy]-8-nonenoyl}oxy)propyle [French] [ACD/IUPAC Name]
1-hexadecanoyl-2-(9-[1'E,3'Z-dien-1'-yloxy]-non-8E-enoyl)-sn-glycero-3-phospho-(1'-myo-inositol)
1-palmitoyl-2-colneleoyl-sn-glycero-3-phospho-(1'-myo-inositol)
O)
PI(16:0/18:3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 875.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.5±6.0 kJ/mol
Flash Point: 483.0±37.1 °C
Index of Refraction: 1.529
Molar Refractivity: 223.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 4
ACD/LogP: 10.81
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 1540.93
ACD/KOC (pH 5.5): 703.06
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 1331.09
ACD/KOC (pH 7.4): 607.32
Polar Surface Area: 229 Å2
Polarizability: 88.6±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 724.7±5.0 cm3

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