ChemSpider 2D Image | (2S)-2,3-Dihydroxypropyl (2R)-2-[(9Z)-9-hexadecenoyloxy]-3-(palmitoyloxy)propyl (2R)-2-hydroxy-1,3-propanediyl bis(phosphate) | C41H78O15P2

(2S)-2,3-Dihydroxypropyl (2R)-2-[(9Z)-9-hexadecenoyloxy]-3-(palmitoyloxy)propyl (2R)-2-hydroxy-1,3-propanediyl bis(phosphate)

  • Molecular FormulaC41H78O15P2
  • Average mass872.998 Da
  • Monoisotopic mass872.482666 Da
  • ChemSpider ID4451127

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2,3-Dihydroxypropyl (2R)-2-[(9Z)-9-hexadecenoyloxy]-3-(palmitoyloxy)propyl (2R)-2-hydroxy-1,3-propanediyl bis(phosphate) [ACD/IUPAC Name]
(2S)-2,3-Dihydroxypropyl-(2R)-2-[(9Z)-9-hexadecenoyloxy]-3-(palmitoyloxy)propyl-(2R)-2-hydroxy-1,3-propandiylbis(phosphat) [German] [ACD/IUPAC Name]
9-Hexadecenoic acid, (1R)-2-[[[(2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-hydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, ion(2-), (9Z)- [ACD/Index Name]
Bis(phosphate) de (2S)-2,3-dihydroxypropyle et de (2R)-2-[(9Z)-9-hexadecenoyloxy]-3-(palmitoyloxy)propyle et de (2R)-2-hydroxy-1,3-propanediyle [French] [ACD/IUPAC Name]
P3A
PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL

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

Density:
Boiling Point: 880.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.3±6.0 kJ/mol
Flash Point: 486.1±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 4
ACD/LogP: 11.34
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 302.74
ACD/KOC (pH 5.5): 109.33
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 302.39
ACD/KOC (pH 7.4): 109.21
Polar Surface Area: 250 Å2
Polarizability:
Surface Tension:
Molar Volume:

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