ChemSpider 2D Image | 6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphahentriacontan-9-yl (15Z)-15-tetracosenoate | C50H98NO8P

6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriacontan-9-yl (15Z)-15-tetracosenoate

  • Molecular FormulaC50H98NO8P
  • Average mass872.289 Da
  • Monoisotopic mass871.703003 Da
  • ChemSpider ID74850178

  • Double-bond stereo - Double-bond stereo

More details:

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

(15Z)-15-Tétracosénoate de 6-hydroxy-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphahéntriacontan-9-yle [French] [ACD/IUPAC Name]
15-Tetracosenoic acid, 2-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-1-[[(1-oxoeicosyl)oxy]methyl]ethyl ester, (15Z)- [ACD/Index Name]
6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriacontan-9-yl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphahentriacontan-9-yl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
[3-(icosanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid
3-(icosanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(20:0/24:1(15Z))

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: 830.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 131.1±6.0 kJ/mol
Flash Point: 456.0±37.1 °C
Index of Refraction: 1.475
Molar Refractivity: 252.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 19.80
ACD/LogD (pH 5.5): 14.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 130 Å2
Polarizability: 100.2±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 898.0±3.0 cm3

Click to predict properties on the Chemicalize site


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