ChemSpider 2D Image | 3-{[(2,3-Dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-octadecenoyloxy]propyl (9E)-9-octadecenoate | C42H79O10P

3-{[(2,3-Dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-octadecenoyloxy]propyl (9E)-9-octadecenoate

  • Molecular FormulaC42H79O10P
  • Average mass775.044 Da
  • Monoisotopic mass774.541077 Da
  • ChemSpider ID4956774

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E)-9-Octadécénoate de 3-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
3-{[(2,3-Dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-octadecenoyloxy]propyl (9E)-9-octadecenoate [ACD/IUPAC Name]
3-{[(2,3-Dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-9-octadecenoyloxy]propyl-(9E)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (9Z,9'E)- [ACD/Index Name]
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
2,3-DIHYDROXYPROPOXY(3-[(9E)-OCTADEC-9-ENOYLOXY]-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY)PHOSPHINIC ACID
62700-69-0 [RN]
9-Octadecenoic acid (Z)-, 1-((((2,3-dihydroxypropoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethandiyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 795.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±6.0 kJ/mol
Flash Point: 435.1±35.7 °C
Index of Refraction: 1.489
Molar Refractivity: 215.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 14.12
ACD/LogD (pH 5.5): 8.70
ACD/BCF (pH 5.5): 361693.38
ACD/KOC (pH 5.5): 35193.62
ACD/LogD (pH 7.4): 8.63
ACD/BCF (pH 7.4): 305897.66
ACD/KOC (pH 7.4): 29764.57
Polar Surface Area: 159 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 746.2±3.0 cm3

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