ChemSpider 2D Image | 5'-O-[({[(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(stearoyloxy)propoxy]phosphinato}oxy)phosphinato]cytidine | C48H83N3O15P2

5'-O-[({[(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(stearoyloxy)propoxy]phosphinato}oxy)phosphinato]cytidine

  • Molecular FormulaC48H83N3O15P2
  • Average mass1004.132 Da
  • Monoisotopic mass1003.531067 Da
  • ChemSpider ID34999656

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5'-O-[({[(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(stearoyloxy)propoxy]phosphinato}oxy)phosphinato]cytidin [German] [ACD/IUPAC Name]
5'-O-[({[(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(stearoyloxy)propoxy]phosphinato}oxy)phosphinato]cytidine [ACD/IUPAC Name]
5'-O-[({[(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(stearoyloxy)propoxy]phosphinato}oxy)phosphinato]cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[hydroxy[[hydroxy[(2R)-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-3-[(1-oxooctadecyl)oxy]propoxy]phosphinyl]oxy]phosphinyl]-, ion(2-) [ACD/Index Name]
1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-cytidine-5'-diphosphate
5'-O-[({[(2R)-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}-3-(octadecanoyloxy)propoxy]phosphinato}oxy)phosphinato]cytidine
CDP-1-stearoyl-2-linoleoyl-sn-glycerol(2-)
  • Miscellaneous

    • Chemical Class:

      A CDP-diacylglycerol(2-) obtained by deprotonation of the diphosphate OH groups of CDP-1-stearoyl-2-linoleoyl-sn-glycerol; major species at pH 7.3. ChEBI CHEBI:85352

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

Density:
Boiling Point: 979.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.8±6.0 kJ/mol
Flash Point: 546.0±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 4
ACD/LogP: 12.69
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 719.05
ACD/KOC (pH 5.5): 220.55
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 539.51
ACD/KOC (pH 7.4): 165.48
Polar Surface Area: 289 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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