ChemSpider 2D Image | 5'-O-[({[(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine | C46H83N3O15P2

5'-O-[({[(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine

  • Molecular FormulaC46H83N3O15P2
  • Average mass980.110 Da
  • Monoisotopic mass979.529968 Da
  • ChemSpider ID59695585

  • 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)-9-Hexadecenoyloxy]-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidin [German] [ACD/IUPAC Name]
5'-O-[({[(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine [ACD/IUPAC Name]
5'-O-[({[(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[hydroxy[[hydroxy[(2R)-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-3-[(1-oxooctadecyl)oxy]propoxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
1-octadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-CDP
1-octadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-cytidine-5'-diphosphate
1-stearoyl-2-palmitoleoyl-sn-glycero-3-cytidine-5'-diphosphate
CDP-DG(18:0/16:1(9Z))
CDP-DG(18:0/16:1)
CDP-DG(34:1)
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 965.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.4±6.0 kJ/mol
Flash Point: 537.7±37.1 °C
Index of Refraction: 1.549
Molar Refractivity: 247.7±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 12.14
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 309.73
ACD/KOC (pH 5.5): 120.70
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 232.40
ACD/KOC (pH 7.4): 90.56
Polar Surface Area: 283 Å2
Polarizability: 98.2±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 779.0±7.0 cm3

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