ChemSpider 2D Image | (2R)-3-(Phosphonooxy)-1,2-propanediyl bis(10-methylundecanoate) | C27H53O8P

(2R)-3-(Phosphonooxy)-1,2-propanediyl bis(10-methylundecanoate)

  • Molecular FormulaC27H53O8P
  • Average mass536.679 Da
  • Monoisotopic mass536.347778 Da
  • ChemSpider ID74877519

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-(Phosphonooxy)-1,2-propandiyl-bis(10-methylundecanoat) [German] [ACD/IUPAC Name]
(2R)-3-(Phosphonooxy)-1,2-propanediyl bis(10-methylundecanoate) [ACD/IUPAC Name]
Bis(10-méthylundécanoate) de (2R)-3-(phosphonooxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
Undecanoic acid, 10-methyl-, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester [ACD/Index Name]
(2R)-2,3-bis[(10-methylundecanoyl)oxy]propoxyphosphonic acid
[(2R)-2,3-bis[(10-methylundecanoyl)oxy]propoxy]phosphonic acid
PA(i-12:0/i-12:0)

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: 1.1±0.1 g/cm3
Boiling Point: 621.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 100.5±6.0 kJ/mol
Flash Point: 329.7±34.3 °C
Index of Refraction: 1.472
Molar Refractivity: 142.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 9.05
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 82.97
ACD/KOC (pH 5.5): 90.80
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 9.76
ACD/KOC (pH 7.4): 10.68
Polar Surface Area: 129 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 507.8±3.0 cm3

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