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Search term: PTJJTQQVMKSSOK-WXUKJITCSA-K (Found by InChIKey (full match))
ChemSpider 2D Image | 2,3-Bis[(9E)-9-hexadecenoyloxy]propyl 2-hydroxy-3-(phosphonatooxy)propyl phosphate | C38H69O13P2

2,3-Bis[(9E)-9-hexadecenoyloxy]propyl 2-hydroxy-3-(phosphonatooxy)propyl phosphate

  • Molecular FormulaC38H69O13P2
  • Average mass795.896 Da
  • Monoisotopic mass795.422974 Da
  • ChemSpider ID128920345

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

2,3-Bis[(9E)-9-hexadecenoyloxy]propyl 2-hydroxy-3-(phosphonatooxy)propyl phosphate [ACD/IUPAC Name]
2,3-Bis[(9E)-9-hexadecenoyloxy]propyl-2-hydroxy-3-(phosphonatooxy)propylphosphat [German] [ACD/IUPAC Name]
9-Hexadecenoic acid, 1-[[[hydroxy[2-hydroxy-3-(phosphonooxy)propoxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester, ion(1-), (9E,9'E)- [ACD/Index Name]
Phosphate de 2,3-bis[(9E)-9-hexadecenoyloxy]propyle et de 2-hydroxy-3-(phosphonatooxy)propyle [French] [ACD/IUPAC Name]
1-18:1(9Z)-2-18:1(9Z)-phosphatidylglycerophosphate

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

Density:
Boiling Point: 831.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.4±6.0 kJ/mol
Flash Point: 456.4±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 11.46
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 81.10
ACD/KOC (pH 5.5): 41.00
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 15.21
ACD/KOC (pH 7.4): 7.69
Polar Surface Area: 223 Å2
Polarizability:
Surface Tension:
Molar Volume:

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