ChemSpider 2D Image | (17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24lambda~5~-phosphaheptacos-17-en-21-yl laurate | C35H70NO7P

(17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacos-17-en-21-yl laurate

  • Molecular FormulaC35H70NO7P
  • Average mass647.907 Da
  • Monoisotopic mass647.489014 Da
  • ChemSpider ID113375994

  • 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

(17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacos-17-en-21-yl laurate [ACD/IUPAC Name]
(17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacos-17-en-21-yllaurat [German] [ACD/IUPAC Name]
Dodecanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1Z)-1-octadecen-1-yloxy]methyl]ethyl ester [ACD/Index Name]
Laurate de (17Z,21R)-27-amino-24-hydroxy-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacos-17-én-21-yle [French] [ACD/IUPAC Name]
1-(1Z-octadecenyl)-2-dodecanoyl-glycero-3-phosphoethanolamine
PE(P-18:0/12:0)
PE(P-30:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 694.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 374.1±34.3 °C
Index of Refraction: 1.477
Molar Refractivity: 183.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 13.21
ACD/LogD (pH 5.5): 9.22
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 179497.28
ACD/LogD (pH 7.4): 9.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 144895.09
Polar Surface Area: 127 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 648.2±3.0 cm3

Click to predict properties on the Chemicalize site


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