ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-({8-[(1R,2S)-2-hexylcyclopropyl]octanoyl}oxy)propyl palmitate | C39H75O10P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-({8-[(1R,2S)-2-hexylcyclopropyl]octanoyl}oxy)propyl palmitate

  • Molecular FormulaC39H75O10P
  • Average mass734.981 Da
  • Monoisotopic mass734.509766 Da
  • ChemSpider ID113377623

  • defined stereocentres - 4 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-[(1R,2S)-2-hexylcyclopropyl]octanoyl}oxy)propyl palmitate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-({8-[(1R,2S)-2-hexylcyclopropyl]octanoyl}oxy)propylpalmitat [German] [ACD/IUPAC Name]
Cyclopropaneoctanoic acid, 2-hexyl-, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (1R,2S)- [ACD/Index Name]
Palmitate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-({8-[(1R,2S)-2-hexylcyclopropyl]octanoyl}oxy)propyle [French] [ACD/IUPAC Name]
1-hexadecanoyl-2-(9R, 11S-methylene-hexadecanoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
PG(16:0/16:0(9Cp))

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

Density: 1.1±0.1 g/cm3
Boiling Point: 771.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 420.7±35.7 °C
Index of Refraction: 1.486
Molar Refractivity: 199.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 12.82
ACD/LogD (pH 5.5): 8.15
ACD/BCF (pH 5.5): 137505.92
ACD/KOC (pH 5.5): 17612.40
ACD/LogD (pH 7.4): 8.07
ACD/BCF (pH 7.4): 116293.92
ACD/KOC (pH 7.4): 14895.47
Polar Surface Area: 159 Å2
Polarizability: 79.0±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 693.7±3.0 cm3

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