ChemSpider 2D Image | (2R)-3-(Phosphonooxy)-2-(tridecanoyloxy)propyl docosanoate | C38H75O8P

(2R)-3-(Phosphonooxy)-2-(tridecanoyloxy)propyl docosanoate

  • Molecular FormulaC38H75O8P
  • Average mass690.971 Da
  • Monoisotopic mass690.519958 Da
  • ChemSpider ID74876979

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-(Phosphonooxy)-2-(tridecanoyloxy)propyl docosanoate [ACD/IUPAC Name]
(2R)-3-(Phosphonooxy)-2-(tridecanoyloxy)propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2R)-3-(phosphonooxy)-2-(tridecanoyloxy)propyle [French] [ACD/IUPAC Name]
Docosanoic acid, (2R)-2-[(1-oxotridecyl)oxy]-3-(phosphonooxy)propyl ester [ACD/Index Name]
(2R)-3-(docosanoyloxy)-2-(tridecanoyloxy)propoxyphosphonic acid
[(2R)-3-(docosanoyloxy)-2-(tridecanoyloxy)propoxy]phosphonic acid
1-docosanoyl-2-tridecanoyl-glycero-3-phosphate
PA(13:0_22:0)
PA(22:0/13:0)
PA(35:0)

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: 734.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.7±6.0 kJ/mol
Flash Point: 398.2±35.7 °C
Index of Refraction: 1.473
Molar Refractivity: 193.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 15.27
ACD/LogD (pH 5.5): 10.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 296384.28
ACD/LogD (pH 7.4): 9.42
ACD/BCF (pH 7.4): 791559.00
ACD/KOC (pH 7.4): 34872.44
Polar Surface Area: 129 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 688.7±3.0 cm3

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