ChemSpider 2D Image | 6-Hydroxy-9-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-6-oxido-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (9Z,12Z,15Z)-9,12,15-octadecatrienoate | C42H72NO8P

6-Hydroxy-9-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (9Z,12Z,15Z)-9,12,15-octadecatrienoate

  • Molecular FormulaC42H72NO8P
  • Average mass749.997 Da
  • Monoisotopic mass749.499573 Da
  • ChemSpider ID74850103

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(9Z,12Z,15Z)-9,12,15-Octadécatriénoate de 6-hydroxy-9-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
6-Hydroxy-9-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
6-Hydroxy-9-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, 1-[[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester, (9Z,12Z,15Z,9'Z,12'Z,15'Z)- [ACD/Index Name]
{2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid

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: 758.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.2±6.0 kJ/mol
Flash Point: 412.4±35.7 °C
Index of Refraction: 1.500
Molar Refractivity: 216.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 12.63
ACD/LogD (pH 5.5): 7.10
ACD/BCF (pH 5.5): 36595.52
ACD/KOC (pH 5.5): 12517.54
ACD/LogD (pH 7.4): 7.09
ACD/BCF (pH 7.4): 35774.15
ACD/KOC (pH 7.4): 12236.59
Polar Surface Area: 130 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 734.0±3.0 cm3

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