Found 20 results

Search term: MF = 'C_{45}H_{81}O_{8}P'
ChemSpider 2D Image | (2R)-1-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-(phosphonooxy)-2-propanyl (13Z)-13-docosenoate | C45H81O8P

(2R)-1-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-(phosphonooxy)-2-propanyl (13Z)-13-docosenoate

  • Molecular FormulaC45H81O8P
  • Average mass781.094 Da
  • Monoisotopic mass780.566895 Da
  • ChemSpider ID74876879

  • 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)-13-Docosénoate de (2R)-1-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-(phosphonooxy)-2-propanyl (13Z)-13-docosenoate [ACD/IUPAC Name]
(2R)-1-[(5Z,8Z,11Z)-5,8,11-Icosatrienoyloxy]-3-(phosphonooxy)-2-propanyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (1R)-2-[[(5Z,8Z,11Z)-1-oxo-5,8,11-eicosatrien-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester, (13Z)- [ACD/Index Name]
(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxyphosphonic acid
[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxy]phosphonic acid
PA(20:3(5Z,8Z,11Z)/22:1(13Z))

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: 795.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.7±6.0 kJ/mol
Flash Point: 434.8±35.7 °C
Index of Refraction: 1.492
Molar Refractivity: 226.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 16.87
ACD/LogD (pH 5.5): 10.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 523184.78
ACD/LogD (pH 7.4): 9.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 61560.19
Polar Surface Area: 129 Å2
Polarizability: 89.6±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 778.7±3.0 cm3

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