ChemSpider 2D Image | (23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26lambda~5~-phosphanonacosan-23-yl (9Z)-9-heptadecenoate | C42H84NO7P

(23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosan-23-yl (9Z)-9-heptadecenoate

  • Molecular FormulaC42H84NO7P
  • Average mass746.093 Da
  • Monoisotopic mass745.598511 Da
  • ChemSpider ID113375948

  • 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

(23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosan-23-yl (9Z)-9-heptadecenoate [ACD/IUPAC Name]
(23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacosan-23-yl-(9Z)-9-heptadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Heptadécénoate de (23R)-29-amino-26-hydroxy-26-oxydo-21,25,27-trioxa-26λ5-phosphanonacosan-23-yle [French] [ACD/IUPAC Name]
9-Heptadecenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[(eicosyloxy)methyl]ethyl ester, (9Z)- [ACD/Index Name]
1-eicosyl-2-(9Z-heptadecenoyl)-glycero-3-phosphoethanolamine
PE(O-20:0/17:1(9Z))
PE(O-20:0/17:1)
PE(O-37:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 757.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.1±6.0 kJ/mol
Flash Point: 412.1±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: 16.35
ACD/LogD (pH 5.5): 11.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4107737.00
ACD/LogD (pH 7.4): 11.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3317045.75
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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