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Search term: SJYXHQSLIDIRRX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-1-(Decanoyloxy)-3-(phosphonooxy)-2-propanyl docosanoate | C35H69O8P

(2R)-1-(Decanoyloxy)-3-(phosphonooxy)-2-propanyl docosanoate

  • Molecular FormulaC35H69O8P
  • Average mass648.891 Da
  • Monoisotopic mass648.473022 Da
  • ChemSpider ID74876544

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(Decanoyloxy)-3-(phosphonooxy)-2-propanyl docosanoate [ACD/IUPAC Name]
(2R)-1-(Decanoyloxy)-3-(phosphonooxy)-2-propanyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2R)-1-(decanoyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
Docosanoic acid, (1R)-2-[(1-oxodecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester [ACD/Index Name]
(2R)-3-(decanoyloxy)-2-(docosanoyloxy)propoxyphosphonic acid
[(2R)-3-(decanoyloxy)-2-(docosanoyloxy)propoxy]phosphonic acid
PA(10:0/22:0)

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: 706.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 381.3±35.7 °C
Index of Refraction: 1.473
Molar Refractivity: 179.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 13.67
ACD/LogD (pH 5.5): 9.11
ACD/BCF (pH 5.5): 769468.56
ACD/KOC (pH 5.5): 62780.58
ACD/LogD (pH 7.4): 8.18
ACD/BCF (pH 7.4): 90534.73
ACD/KOC (pH 7.4): 7386.69
Polar Surface Area: 129 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 639.1±3.0 cm3

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