ChemSpider 2D Image | 6-Hydroxy-6-oxido-9-[(9Z)-9-tetradecenoyloxy]-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (11Z)-11-icosenoate | C40H76NO8P

6-Hydroxy-6-oxido-9-[(9Z)-9-tetradecenoyloxy]-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (11Z)-11-icosenoate

  • Molecular FormulaC40H76NO8P
  • Average mass730.007 Da
  • Monoisotopic mass729.530884 Da
  • ChemSpider ID74850180

  • Double-bond stereo - Double-bond stereo

More details:

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

(11Z)-11-Icosénoate de 6-hydroxy-6-oxydo-9-[(9Z)-9-tetradecenoyloxy]-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
11-Eicosenoic acid, 3-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester, (11Z)- [ACD/Index Name]
6-Hydroxy-6-oxido-9-[(9Z)-9-tetradecenoyloxy]-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (11Z)-11-icosenoate [ACD/IUPAC Name]
6-Hydroxy-6-oxido-9-[(9Z)-9-tetradecenoyloxy]-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
{3-[(11Z)-icos-11-enoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
3-[(11Z)-icos-11-enoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(20:1(11Z)/14:1(9Z))

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: 742.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 402.6±35.7 °C
Index of Refraction: 1.480
Molar Refractivity: 206.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 13.96
ACD/LogD (pH 5.5): 8.48
ACD/BCF (pH 5.5): 415129.53
ACD/KOC (pH 5.5): 71203.59
ACD/LogD (pH 7.4): 8.48
ACD/BCF (pH 7.4): 405812.13
ACD/KOC (pH 7.4): 69605.45
Polar Surface Area: 130 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 726.6±3.0 cm3

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