ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[8-(2-heptylcyclopropyl)octanoyl]oxy}propyl palmitate | C40H77O10P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[8-(2-heptylcyclopropyl)octanoyl]oxy}propyl palmitate

  • Molecular FormulaC40H77O10P
  • Average mass749.007 Da
  • Monoisotopic mass748.525452 Da
  • ChemSpider ID59695719

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[8-(2-heptylcyclopropyl)octanoyl]oxy}propyl palmitate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[8-(2-heptylcyclopropyl)octanoyl]oxy}propylpalmitat [German] [ACD/IUPAC Name]
Cyclopropaneoctanoic acid, 2-heptyl-, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
Palmitate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[8-(2-heptylcyclopropyl)octanoyl]oxy}propyle [French] [ACD/IUPAC Name]
1-hexadecanoyl-2-heptadec-9-10-cyclo-anoyl-sn-glycero-3-phospho-(1'-glycerol)
1-hexadecanoyl-2-heptadec-9-10-cyclo-anoyl-sn-glycero-3-phosphoglycerol
1-hexadecanoyl-2-NULL-sn-glycero-3-phospho-(1'-glycerol)
1-hexadecanoyl-2-NULL-sn-glycero-3-phosphoglycerol
1-palmitoyl-2-heptadec-9-10-cyclo-anoyl-sn-glycero-3-phosphoglycerol
1-palmitoyl-2-heptadec-cyclopropanol-sn-glycero-3-phosphoglycerol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 780.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.5±6.0 kJ/mol
Flash Point: 425.9±35.7 °C
Index of Refraction: 1.486
Molar Refractivity: 203.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 13.36
ACD/LogD (pH 5.5): 8.45
ACD/BCF (pH 5.5): 234934.81
ACD/KOC (pH 5.5): 25842.21
ACD/LogD (pH 7.4): 8.38
ACD/BCF (pH 7.4): 198693.19
ACD/KOC (pH 7.4): 21855.73
Polar Surface Area: 159 Å2
Polarizability: 80.8±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 710.2±3.0 cm3

Click to predict properties on the Chemicalize site


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