ChemSpider 2D Image | 6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphahentriacontan-9-yl (13Z)-13-docosenoate | C49H96NO8P

6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriacontan-9-yl (13Z)-13-docosenoate

  • Molecular FormulaC49H96NO8P
  • Average mass858.262 Da
  • Monoisotopic mass857.687378 Da
  • ChemSpider ID74850989

  • Double-bond stereo - Double-bond stereo

More details:

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

(13Z)-13-Docosénoate de 6-hydroxy-2-méthyl-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphahéntriacontan-9-yle [French] [ACD/IUPAC Name]
13-Docosenoic acid, 2-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxoeicosyl)oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriacontan-9-yl (13Z)-13-docosenoate [ACD/IUPAC Name]
6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriacontan-9-yl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
[2-(dimethylamino)ethoxy]({2-[(13Z)-docos-13-enoyloxy]-3-(icosanoyloxy)propoxy})phosphinic acid
2-(dimethylamino)ethoxy(2-[(13Z)-docos-13-enoyloxy]-3-(icosanoyloxy)propoxy)phosphinic acid
PE-NMe2(20:0/22:1(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: 815.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±6.0 kJ/mol
Flash Point: 446.8±37.1 °C
Index of Refraction: 1.476
Molar Refractivity: 248.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 19.23
ACD/LogD (pH 5.5): 14.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 121 Å2
Polarizability: 98.4±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 880.0±3.0 cm3

Click to predict properties on the Chemicalize site


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