ChemSpider 2D Image | (17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24lambda~5~-phosphaheptacos-17-en-21-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate | C41H76NO7P

(17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacos-17-en-21-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate

  • Molecular FormulaC41H76NO7P
  • Average mass726.018 Da
  • Monoisotopic mass725.535950 Da
  • ChemSpider ID24769262

  • 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 (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
(17Z,21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacos-17-en-21-yl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de (17Z,21R)-27-amino-24-hydroxy-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacos-17-én-21-yle [French] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1Z)-1-octadecen-1-yloxy]methyl]ethyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(1Z)-octadec-1-en-1-yloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid
1-(1-Enyl-stearoyl)-2-g-linolenoyl-sn-glycero-3-phosphoethanolamine
1-(1-Enyl-stearoyl)-2-γ-linolenoyl-sn-glycero-3-phosphoethanolamine
1-(1Z-octadecenyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(1Z)-octadec-1-en-1-yloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxyphosphinic acid
GPEtn(18:0/18:3)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 749.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 118.9±6.0 kJ/mol
Flash Point: 407.1±35.7 °C
Index of Refraction: 1.492
Molar Refractivity: 211.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 14.75
ACD/LogD (pH 5.5): 9.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 299036.50
ACD/LogD (pH 7.4): 9.54
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 241385.63
Polar Surface Area: 127 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 728.0±3.0 cm3

Click to predict properties on the Chemicalize site


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