ChemSpider 2D Image | (23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26lambda~5~-phosphanonacosan-23-yl heptadecanoate | C42H86NO7P

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

  • Molecular FormulaC42H86NO7P
  • Average mass748.109 Da
  • Monoisotopic mass747.614197 Da
  • ChemSpider ID113375947

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosan-23-yl heptadecanoate [ACD/IUPAC Name]
(23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosan-23-yl-heptadecanoat [German] [ACD/IUPAC Name]
Heptadécanoate de (23R)-29-amino-26-hydroxy-26-oxydo-21,25,27-trioxa-26λ5-phosphanonacosan-23-yle [French] [ACD/IUPAC Name]
Heptadecanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[(eicosyloxy)methyl]ethyl ester [ACD/Index Name]
1-eicosyl-2-heptadecanoyl-glycero-3-phosphoethanolamine
PE(O-20:0/17:0)
PE(O-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: 758.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.2±6.0 kJ/mol
Flash Point: 412.4±35.7 °C
Index of Refraction: 1.472
Molar Refractivity: 215.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 16.86
ACD/LogD (pH 5.5): 12.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7808174.50
ACD/LogD (pH 7.4): 12.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6305199.50
Polar Surface Area: 127 Å2
Polarizability: 85.4±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 770.1±3.0 cm3

Click to predict properties on the Chemicalize site


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