ChemSpider 2D Image | (19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate | C39H72NO7P

(19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate

  • Molecular FormulaC39H72NO7P
  • Average mass697.965 Da
  • Monoisotopic mass697.504639 Da
  • ChemSpider ID113375909

  • 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

(19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
(19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl-(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z)-6,9,12,15-Octadécatétraénoate de (19R)-25-amino-22-hydroxy-22-oxydo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yle [French] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[(hexadecyloxy)methyl]ethyl ester, (6Z,9Z,12Z,15Z)- [ACD/Index Name]
1-hexadecyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycero-3-phosphoethanolamine
PE(O-16:0/18:4(6Z,9Z,12Z,15Z))
PE(O-16:0/18:4)
PE(O-34:4)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 728.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.8±6.0 kJ/mol
Flash Point: 394.6±35.7 °C
Index of Refraction: 1.493
Molar Refractivity: 201.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 12.94
ACD/LogD (pH 5.5): 8.27
ACD/BCF (pH 5.5): 284498.91
ACD/KOC (pH 5.5): 54287.55
ACD/LogD (pH 7.4): 8.18
ACD/BCF (pH 7.4): 229732.41
ACD/KOC (pH 7.4): 43837.11
Polar Surface Area: 127 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 695.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement