ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(5Z)-7-{3-[(2Z,5Z)-2,5-undecadien-1-yl]-2-oxiranyl}-5-heptenoyl]oxy}propyl (11Z)-11-icosenoate | C45H80NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(5Z)-7-{3-[(2Z,5Z)-2,5-undecadien-1-yl]-2-oxiranyl}-5-heptenoyl]oxy}propyl (11Z)-11-icosenoate

  • Molecular FormulaC45H80NO9P
  • Average mass810.092 Da
  • Monoisotopic mass809.557068 Da
  • ChemSpider ID117218167

  • 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)-11-Icosénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-{[(5Z)-7-{3-[(2Z,5Z)-2,5-undécadién-1-yl]-2-oxiranyl}-5-heptenoyl]oxy}propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(5Z)-7-{3-[(2Z,5Z)-2,5-undecadien-1-yl]-2-oxiranyl}-5-heptenoyl]oxy}propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(5Z)-7-{3-[(2Z,5Z)-2,5-undecadien-1-yl]-2-oxiranyl}-5-heptenoyl]oxy}propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(5Z)-1-oxo-7-[3-[(2Z,5Z)-2,5-undecadien-1-yl]oxiranyl]-5-hepten-1-yl]oxy]propyl ester, (11Z)- [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: 808.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 127.7±6.0 kJ/mol
Flash Point: 442.5±37.1 °C
Index of Refraction: 1.498
Molar Refractivity: 229.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 14.55
ACD/LogD (pH 5.5): 8.72
ACD/BCF (pH 5.5): 621529.56
ACD/KOC (pH 5.5): 94977.47
ACD/LogD (pH 7.4): 8.62
ACD/BCF (pH 7.4): 500703.56
ACD/KOC (pH 7.4): 76513.75
Polar Surface Area: 157 Å2
Polarizability: 90.9±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 783.0±3.0 cm3

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