ChemSpider 2D Image | (23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26lambda~5~-phosphanonacosan-23-yl (11Z)-11-docosenoate | C47H94NO7P

(23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosan-23-yl (11Z)-11-docosenoate

  • Molecular FormulaC47H94NO7P
  • Average mass816.226 Da
  • Monoisotopic mass815.676819 Da
  • ChemSpider ID113375964

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11Z)-11-Docosénoate de (23R)-29-amino-26-hydroxy-26-oxydo-21,25,27-trioxa-26λ5-phosphanonacosan-23-yle [French] [ACD/IUPAC Name]
(23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosan-23-yl (11Z)-11-docosenoate [ACD/IUPAC Name]
(23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosan-23-yl-(11Z)-11-docosenoat [German] [ACD/IUPAC Name]
11-Docosenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[(eicosyloxy)methyl]ethyl ester, (11Z)- [ACD/Index Name]
1-eicosyl-2-(11Z-docosenoyl)-glycero-3-phosphoethanolamine
PE(O-20:0/22:1(11Z))
PE(O-20:0/22:1)
PE(O-42:1)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 802.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 126.7±6.0 kJ/mol
Flash Point: 438.8±37.1 °C
Index of Refraction: 1.476
Molar Refractivity: 238.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 19.00
ACD/LogD (pH 5.5): 13.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 127 Å2
Polarizability: 94.7±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 846.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement