ChemSpider 2D Image | (19Z,23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26lambda~5~-phosphanonacos-19-en-23-yl (9Z,12Z)-9,12-heptadecadienoate | C42H80NO7P

(19Z,23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacos-19-en-23-yl (9Z,12Z)-9,12-heptadecadienoate

  • Molecular FormulaC42H80NO7P
  • Average mass742.061 Da
  • Monoisotopic mass741.567261 Da
  • ChemSpider ID113376014

  • 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

(19Z,23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacos-19-en-23-yl (9Z,12Z)-9,12-heptadecadienoate [ACD/IUPAC Name]
(19Z,23R)-29-Amino-26-hydroxy-26-oxido-21,25,27-trioxa-26λ5-phosphanonacos-19-en-23-yl-(9Z,12Z)-9,12-heptadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Heptadécadiénoate de (19Z,23R)-29-amino-26-hydroxy-26-oxydo-21,25,27-trioxa-26λ5-phosphanonacos-19-én-23-yle [French] [ACD/IUPAC Name]
9,12-Heptadecadienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1Z)-1-eicosen-1-yloxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
1-(1Z-eicosenyl)-2-(9Z,12Z-heptadecadienoyl)-glycero-3-phosphoethanolamine
PE(P-20:0/17:2(9Z,12Z))
PE(P-20:0/17:2)
PE(P-37:2)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 759.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.3±6.0 kJ/mol
Flash Point: 412.8±35.7 °C
Index of Refraction: 1.486
Molar Refractivity: 215.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 15.90
ACD/LogD (pH 5.5): 10.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 888824.13
ACD/LogD (pH 7.4): 10.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 717481.38
Polar Surface Area: 127 Å2
Polarizability: 85.5±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 750.9±3.0 cm3

Click to predict properties on the Chemicalize site


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