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Search term: 74876809 (Found by CSID)
ChemSpider 2D Image | (2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-(phosphonooxy)propyl icosanoate | C39H75O8P

(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-(phosphonooxy)propyl icosanoate

  • Molecular FormulaC39H75O8P
  • Average mass702.982 Da
  • Monoisotopic mass702.519958 Da
  • ChemSpider ID74876809

  • 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-Hexadecenoyloxy]-3-(phosphonooxy)propyl icosanoate [ACD/IUPAC Name]
(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-(phosphonooxy)propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, (2R)-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-3-(phosphonooxy)propyl ester [ACD/Index Name]
Icosanoate de (2R)-2-[(9Z)-9-hexadecenoyloxy]-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(icosanoyloxy)propoxyphosphonic acid
[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(icosanoyloxy)propoxy]phosphonic acid
1-eicosanoyl-2-(9Z-hexadecenoyl)-glycero-3-phosphate
PA(16:1_20:0)
PA(20:0/16:1(9Z))
PA(36:1)

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

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): 10.14
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 227980.03
ACD/LogD (pH 7.4): 9.21
ACD/BCF (pH 7.4): 548630.25
ACD/KOC (pH 7.4): 26824.15
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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