ChemSpider 2D Image | (2R)-3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (13Z,16Z)-13,16-docosadienoate | C39H73O8P

(2R)-3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC39H73O8P
  • Average mass700.966 Da
  • Monoisotopic mass700.504333 Da
  • ChemSpider ID74877036

  • 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

(13Z,16Z)-13,16-Docosadiénoate de (2R)-3-(phosphonooxy)-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(2R)-3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, (2R)-2-[(1-oxotetradecyl)oxy]-3-(phosphonooxy)propyl ester, (13Z,16Z)- [ACD/Index Name]
(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-(tetradecanoyloxy)propoxyphosphonic acid
[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-(tetradecanoyloxy)propoxy]phosphonic acid
1-(13Z,16Z-docosadienoyl)-2-tetradecanoyl-glycero-3-phosphate
PA(14:0_22:2)
PA(22:2(13Z,16Z)/14:0)
PA(36:2)

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: 743.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.9±6.0 kJ/mol
Flash Point: 403.2±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 198.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 14.76
ACD/LogD (pH 5.5): 9.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 117668.34
ACD/LogD (pH 7.4): 8.68
ACD/BCF (pH 7.4): 217766.34
ACD/KOC (pH 7.4): 13844.84
Polar Surface Area: 129 Å2
Polarizability: 78.5±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 692.4±3.0 cm3

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