ChemSpider 2D Image | (19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z,12Z,15Z)-9,12,15-octadecatrienoate | C39H74NO7P

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

  • Molecular FormulaC39H74NO7P
  • Average mass699.981 Da
  • Monoisotopic mass699.520264 Da
  • ChemSpider ID113375976

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 729.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.9±6.0 kJ/mol
Flash Point: 394.9±35.7 °C
Index of Refraction: 1.487
Molar Refractivity: 201.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 13.55
ACD/LogD (pH 5.5): 9.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 139271.05
ACD/LogD (pH 7.4): 8.93
ACD/BCF (pH 7.4): 856744.50
ACD/KOC (pH 7.4): 112463.00
Polar Surface Area: 127 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 701.4±3.0 cm3

Click to predict properties on the Chemicalize site


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