ChemSpider 2D Image | (17R)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20lambda~5~-phosphatricosan-17-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate | C37H68NO8P

(17R)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatricosan-17-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate

  • Molecular FormulaC37H68NO8P
  • Average mass685.911 Da
  • Monoisotopic mass685.468262 Da
  • ChemSpider ID24768335

  • 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

(17R)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatricosan-17-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
(17R)-23-Amino-20-hydroxy-20-oxido-14-oxo-15,19,21-trioxa-20λ5-phosphatricosan-17-yl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de (17R)-23-amino-20-hydroxy-14-oxo-20-oxydo-15,19,21-trioxa-20λ5-phosphatricosan-17-yle [French] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(octadeca-6,9,12-trienoyloxy)-3-(tetradecanoyloxy)propoxy]phosphinic acid
(2-aminoethoxy)[(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-(tetradecanoyloxy)propoxy]phosphinic acid
1-Myristoyl-2-g-linolenoyl-sn-glycero-3-phosphoethanolamine
1-Myristoyl-2-γ-linolenoyl-sn-glycero-3-phosphoethanolamine
1-tetradecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-(tetradecanoyloxy)propoxyphosphinic acid
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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: 722.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.9±6.0 kJ/mol
Flash Point: 390.6±35.7 °C
Index of Refraction: 1.490
Molar Refractivity: 192.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 12.06
ACD/LogD (pH 5.5): 7.89
ACD/BCF (pH 5.5): 147172.81
ACD/KOC (pH 5.5): 33868.66
ACD/LogD (pH 7.4): 7.80
ACD/BCF (pH 7.4): 118565.52
ACD/KOC (pH 7.4): 27285.30
Polar Surface Area: 144 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 665.5±3.0 cm3

Click to predict properties on the Chemicalize site


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