ChemSpider 2D Image | (3Z,6Z,9Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosa-3,6,9-trien-21-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate | C41H70NO8P

(3Z,6Z,9Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-3,6,9-trien-21-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate

  • Molecular FormulaC41H70NO8P
  • Average mass735.970 Da
  • Monoisotopic mass735.483887 Da
  • ChemSpider ID24768622

  • 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

(3Z,6Z,9Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-3,6,9-trien-21-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
(3Z,6Z,9Z,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-3,6,9-trien-21-yl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de (3Z,6Z,9Z,21R)-27-amino-24-hydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosa-3,6,9-trién-21-yle [French] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]ethyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphinic acid
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphoethanolamine
1-a-Linolenoyl-2-g-linolenoyl-sn-glycero-3-phosphoethanolamine
1-α-Linolenoyl-2-γ-linolenoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxyphosphinic acid
GPEtn(18:3/18:3)
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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: 757.6±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: 412.0±35.7 °C
Index of Refraction: 1.505
Molar Refractivity: 211.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 12.47
ACD/LogD (pH 5.5): 6.81
ACD/BCF (pH 5.5): 21973.75
ACD/KOC (pH 5.5): 8681.83
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 17702.51
ACD/KOC (pH 7.4): 6994.26
Polar Surface Area: 144 Å2
Polarizability: 83.8±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 712.4±3.0 cm3

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