ChemSpider 2D Image | (2R)-3-{[(R)-[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (3E)-3-hexadecenoate | C38H73O10P

(2R)-3-{[(R)-[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (3E)-3-hexadecenoate

  • Molecular FormulaC38H73O10P
  • Average mass720.954 Da
  • Monoisotopic mass720.494141 Da
  • ChemSpider ID395238

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-3-{[(R)-[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl (3E)-3-hexadecenoate [ACD/IUPAC Name]
(2R)-3-{[(R)-[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyl-(3E)-3-hexadecenoat [German] [ACD/IUPAC Name]
(3E)-3-Hexadécénoate de (2R)-3-{[(R)-[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
3-Hexadecenoic acid, (2R)-3-[[(R)-[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (3E)- [ACD/Index Name]
8031-35-4 secondary RN [RN]
LHG

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

Density: 1.0±0.1 g/cm3
Boiling Point: 761.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.5±6.0 kJ/mol
Flash Point: 414.3±35.7 °C
Index of Refraction: 1.485
Molar Refractivity: 196.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 12.78
ACD/LogD (pH 5.5): 8.27
ACD/BCF (pH 5.5): 170041.92
ACD/KOC (pH 5.5): 20502.94
ACD/LogD (pH 7.4): 8.19
ACD/BCF (pH 7.4): 143837.05
ACD/KOC (pH 7.4): 17343.27
Polar Surface Area: 159 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 686.5±3.0 cm3

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