ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(4Z,7Z,10Z,13Z)-15-{3-[(2Z)-2-penten-1-yl]-2-oxiranyl}-4,7,10,13-pentadecatetraenoyl]oxy}propyl (11Z,14Z)-11,14-icosadienoate | C47H78NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(4Z,7Z,10Z,13Z)-15-{3-[(2Z)-2-penten-1-yl]-2-oxiranyl}-4,7,10,13-pentadecatetraenoyl]oxy}propyl (11Z,14Z)-11,14-icosadienoate

  • Molecular FormulaC47H78NO9P
  • Average mass832.097 Da
  • Monoisotopic mass831.541443 Da
  • ChemSpider ID117218327

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(11Z,14Z)-11,14-Icosadiénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-{[(4Z,7Z,10Z,13Z)-15-{3-[(2Z)-2-pentén-1-yl]-2-oxiranyl}-4,7,10,13-pentadecatetraenoyl]oxy}propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(4Z,7Z,10Z,13Z)-15-{3-[(2Z)-2-penten-1-yl]-2-oxiranyl}-4,7,10,13-pentadecatetraenoyl]oxy}propyl (11Z,14Z)-11,14-icosadienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(4Z,7Z,10Z,13Z)-15-{3-[(2Z)-2-penten-1-yl]-2-oxiranyl}-4,7,10,13-pentadecatetraenoyl]oxy}propyl-(11Z,14Z)-11,14-icosadienoat [German] [ACD/IUPAC Name]
11,14-Eicosadienoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(4Z,7Z,10Z,13Z)-1-oxo-15-[3-[(2Z)-2-penten-1-yl]oxiranyl]-4,7,10,13-pentadecatetraen-1-yl]oxy]propyl ester, (11Z,14Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 823.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.1±6.0 kJ/mol
Flash Point: 452.0±37.1 °C
Index of Refraction: 1.511
Molar Refractivity: 238.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 13.81
ACD/LogD (pH 5.5): 7.63
ACD/BCF (pH 5.5): 92263.66
ACD/KOC (pH 5.5): 24245.90
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 74322.20
ACD/KOC (pH 7.4): 19531.08
Polar Surface Area: 157 Å2
Polarizability: 94.7±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 796.9±3.0 cm3

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