ChemSpider 2D Image | (2R)-1-(Dodecanoyloxy)-3-(phosphonooxy)-2-propanyl (9Z)-9-hexadecenoate | C31H59O8P

(2R)-1-(Dodecanoyloxy)-3-(phosphonooxy)-2-propanyl (9Z)-9-hexadecenoate

  • Molecular FormulaC31H59O8P
  • Average mass590.769 Da
  • Monoisotopic mass590.394775 Da
  • ChemSpider ID30779191

  • 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-(Dodecanoyloxy)-3-(phosphonooxy)-2-propanyl (9Z)-9-hexadecenoate [ACD/IUPAC Name]
(2R)-1-(Dodecanoyloxy)-3-(phosphonooxy)-2-propanyl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Hexadécénoate de (2R)-1-(dodecanoyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
9-Hexadecenoic acid, (1R)-2-[(1-oxododecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (9Z)- [ACD/Index Name]
(2R)-3-(dodecanoyloxy)-2-[(9Z)-hexadec-9-enoyloxy]propoxyphosphonic acid
[(2R)-3-(dodecanoyloxy)-2-[(9Z)-hexadec-9-enoyloxy]propoxy]phosphonic acid
1-dodecanoyl-2-(9Z-hexadecenoyl)-glycero-3-phosphate
1-dodecanoyl-2-(9Z-hexadecenoyl)-sn-phosphatidic acid
1-dodecanoyl-2-palmitoleoyl-sn-glycero-3-phosphate
PA(12:0/16:1(9Z))
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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: 668.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±6.0 kJ/mol
Flash Point: 358.0±34.3 °C
Index of Refraction: 1.480
Molar Refractivity: 160.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 11.03
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 8088.85
ACD/KOC (pH 5.5): 2408.64
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 951.73
ACD/KOC (pH 7.4): 283.40
Polar Surface Area: 129 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 566.7±3.0 cm3

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