Found 19 results

Search term: MF = 'C_{36}H_{69}O_{8}P'
ChemSpider 2D Image | (2R)-2-({8-[(1S,2R)-2-Hexylcyclopropyl]octanoyl}oxy)-3-(phosphonooxy)propyl palmitate | C36H69O8P

(2R)-2-({8-[(1S,2R)-2-Hexylcyclopropyl]octanoyl}oxy)-3-(phosphonooxy)propyl palmitate

  • Molecular FormulaC36H69O8P
  • Average mass660.902 Da
  • Monoisotopic mass660.473022 Da
  • ChemSpider ID392669

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-2-({8-[(1S,2R)-2-Hexylcyclopropyl]octanoyl}oxy)-3-(phosphonooxy)propyl palmitate [ACD/IUPAC Name]
(2R)-2-({8-[(1S,2R)-2-Hexylcyclopropyl]octanoyl}oxy)-3-(phosphonooxy)propylpalmitat [German] [ACD/IUPAC Name]
Cyclopropaneoctanoic acid, 2-hexyl-, (1R)-2-[(1-oxohexadecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (1S,2R)- [ACD/Index Name]
Palmitate de (2R)-2-({8-[(1S,2R)-2-hexylcyclopropyl]octanoyl}oxy)-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL
DGG

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

Density: 1.0±0.1 g/cm3
Boiling Point: 717.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.2±6.0 kJ/mol
Flash Point: 387.8±35.7 °C
Index of Refraction: 1.481
Molar Refractivity: 182.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 13.47
ACD/LogD (pH 5.5): 8.92
ACD/BCF (pH 5.5): 552767.81
ACD/KOC (pH 5.5): 49544.82
ACD/LogD (pH 7.4): 7.99
ACD/BCF (pH 7.4): 65038.49
ACD/KOC (pH 7.4): 5829.43
Polar Surface Area: 129 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 639.9±3.0 cm3

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