ChemSpider 2D Image | (2Z,14R)-20-Amino-17-hydroxy-17-oxido-11-oxo-1-(3-pentyl-2-oxiranyl)-12,16,18-trioxa-17lambda~5~-phosphaicos-2-en-14-yl (11Z)-11-icosenoate | C43H80NO9P

(2Z,14R)-20-Amino-17-hydroxy-17-oxido-11-oxo-1-(3-pentyl-2-oxiranyl)-12,16,18-trioxa-17λ5-phosphaicos-2-en-14-yl (11Z)-11-icosenoate

  • Molecular FormulaC43H80NO9P
  • Average mass786.070 Da
  • Monoisotopic mass785.557068 Da
  • ChemSpider ID117218214
  • 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 (2Z,14R)-20-amino-17-hydroxy-11-oxo-17-oxydo-1-(3-pentyl-2-oxiranyl)-12,16,18-trioxa-17λ5-phosphaicos-2-én-14-yle [French] [ACD/IUPAC Name]
(2Z,14R)-20-Amino-17-hydroxy-17-oxido-11-oxo-1-(3-pentyl-2-oxiranyl)-12,16,18-trioxa-17λ5-phosphaicos-2-en-14-yl (11Z)-11-icosenoate [ACD/IUPAC Name]
(2Z,14R)-20-Amino-17-hydroxy-17-oxido-11-oxo-1-(3-pentyl-2-oxiranyl)-12,16,18-trioxa-17λ5-phosphaicos-2-en-14-yl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-11-(3-pentyloxiranyl)-9-undecen-1-yl]oxy]methyl]ethyl 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: 791.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.2±6.0 kJ/mol
Flash Point: 432.5±35.7 °C
Index of Refraction: 1.488
Molar Refractivity: 220.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 14.05
ACD/LogD (pH 5.5): 8.96
ACD/BCF (pH 5.5): 954786.06
ACD/KOC (pH 5.5): 129144.34
ACD/LogD (pH 7.4): 8.87
ACD/BCF (pH 7.4): 769209.25
ACD/KOC (pH 7.4): 104043.23
Polar Surface Area: 157 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 762.8±3.0 cm3

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