ChemSpider 2D Image | (15Z,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22lambda~5~-phosphapentacos-15-en-19-yl henicosanoate | C42H84NO7P

(15Z,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl henicosanoate

  • Molecular FormulaC42H84NO7P
  • Average mass746.093 Da
  • Monoisotopic mass745.598511 Da
  • ChemSpider ID113375992

  • 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

(15Z,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl henicosanoate [ACD/IUPAC Name]
(15Z,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl-henicosanoat [German] [ACD/IUPAC Name]
Heneicosanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1Z)-1-hexadecen-1-yloxy]methyl]ethyl ester [ACD/Index Name]
Hénicosanoate de (15Z,19R)-25-amino-22-hydroxy-22-oxydo-17,21,23-trioxa-22λ5-phosphapentacos-15-én-19-yle [French] [ACD/IUPAC Name]
1-(1Z-hexadecenyl)-2-heneicosanoyl-glycero-3-phosphoethanolamine
PE(P-16:0/21:0)
PE(P-37:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 760.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.4±6.0 kJ/mol
Flash Point: 413.5±35.7 °C
Index of Refraction: 1.477
Molar Refractivity: 215.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 16.93
ACD/LogD (pH 5.5): 12.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7589451.50
ACD/LogD (pH 7.4): 12.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6126405.00
Polar Surface Area: 127 Å2
Polarizability: 85.5±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 763.7±3.0 cm3

Click to predict properties on the Chemicalize site


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