Found 19 results

Search term: MF = 'C_{36}H_{69}O_{8}P'
ChemSpider 2D Image | (2R)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl (9Z)-9-heptadecenoate | C36H69O8P

(2R)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl (9Z)-9-heptadecenoate

  • Molecular FormulaC36H69O8P
  • Average mass660.902 Da
  • Monoisotopic mass660.473022 Da
  • ChemSpider ID113379293

  • 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)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl (9Z)-9-heptadecenoate [ACD/IUPAC Name]
(2R)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl-(9Z)-9-heptadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Heptadécénoate de (2R)-1-(palmitoyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
9-Heptadecenoic acid, (1R)-2-[(1-oxohexadecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (9Z)- [ACD/Index Name]
1-hexadecanoyl-2-(9Z-heptadecenoyl)-glycero-3-phosphate
PA(16:0/17:1(9Z))
PA(16:0_17:1)
PA(33:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 715.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 386.8±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 184.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 13.69
ACD/LogD (pH 5.5): 8.89
ACD/BCF (pH 5.5): 523805.56
ACD/KOC (pH 5.5): 47672.50
ACD/LogD (pH 7.4): 7.96
ACD/BCF (pH 7.4): 61631.07
ACD/KOC (pH 7.4): 5609.16
Polar Surface Area: 129 Å2
Polarizability: 73.0±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 649.3±3.0 cm3

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