Found 29 results

Search term: MF = 'C_{36}H_{71}O_{8}P'
ChemSpider 2D Image | (2R)-1-[(10-Methylundecanoyl)oxy]-3-(phosphonooxy)-2-propanyl 18-methylicosanoate | C36H71O8P

(2R)-1-[(10-Methylundecanoyl)oxy]-3-(phosphonooxy)-2-propanyl 18-methylicosanoate

  • Molecular FormulaC36H71O8P
  • Average mass662.918 Da
  • Monoisotopic mass662.488647 Da
  • ChemSpider ID74877517

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-1-[(10-Methylundecanoyl)oxy]-3-(phosphonooxy)-2-propanyl 18-methylicosanoate [ACD/IUPAC Name]
(2R)-1-[(10-Methylundecanoyl)oxy]-3-(phosphonooxy)-2-propanyl-18-methylicosanoat [German] [ACD/IUPAC Name]
18-Méthylicosanoate de (2R)-1-[(10-méthylundecanoyl)oxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
Eicosanoic acid, 18-methyl-, (1R)-2-[(10-methyl-1-oxoundecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester [ACD/Index Name]
(2R)-2-[(18-methylicosanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxyphosphonic acid
[(2R)-2-[(18-methylicosanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxy]phosphonic acid
PA(i-12:0/a-21:0)

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: 710.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 113.1±6.0 kJ/mol
Flash Point: 383.3±35.7 °C
Index of Refraction: 1.472
Molar Refractivity: 183.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 13.84
ACD/LogD (pH 5.5): 8.03
ACD/BCF (pH 5.5): 115847.37
ACD/KOC (pH 5.5): 16189.14
ACD/LogD (pH 7.4): 7.10
ACD/BCF (pH 7.4): 13630.56
ACD/KOC (pH 7.4): 1904.81
Polar Surface Area: 129 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 656.4±3.0 cm3

Click to predict properties on the Chemicalize site


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