ChemSpider 2D Image | (2R)-2-[(9Z)-9-Pentadecenoyloxy]-3-(phosphonooxy)propyl henicosanoate | C39H75O8P

(2R)-2-[(9Z)-9-Pentadecenoyloxy]-3-(phosphonooxy)propyl henicosanoate

  • Molecular FormulaC39H75O8P
  • Average mass702.982 Da
  • Monoisotopic mass702.519958 Da
  • ChemSpider ID113379199

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[(9Z)-9-Pentadecenoyloxy]-3-(phosphonooxy)propyl henicosanoate [ACD/IUPAC Name]
(2R)-2-[(9Z)-9-Pentadecenoyloxy]-3-(phosphonooxy)propyl-henicosanoat [German] [ACD/IUPAC Name]
Heneicosanoic acid, (2R)-2-[[(9Z)-1-oxo-9-pentadecen-1-yl]oxy]-3-(phosphonooxy)propyl ester [ACD/Index Name]
Hénicosanoate de (2R)-2-[(9Z)-9-pentadecenoyloxy]-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
1-heneicosanoyl-2-(9Z-pentadecenoyl)-glycero-3-phosphate
PA(15:1_21:0)
PA(21:0/15:1(9Z))
PA(36:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 743.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 118.0±6.0 kJ/mol
Flash Point: 403.5±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 198.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 15.28
ACD/LogD (pH 5.5): 10.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 231046.27
ACD/LogD (pH 7.4): 9.22
ACD/BCF (pH 7.4): 558966.75
ACD/KOC (pH 7.4): 27184.92
Polar Surface Area: 129 Å2
Polarizability: 78.5±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 698.8±3.0 cm3

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