ChemSpider 2D Image | 5'-O-[{[{(2R)-2,3-Bis[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine | C44H77N3O15P2

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

  • Molecular FormulaC44H77N3O15P2
  • Average mass950.041 Da
  • Monoisotopic mass949.482971 Da
  • ChemSpider ID59696010
  • 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)-2,3-Bis[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidin [German] [ACD/IUPAC Name]
5'-O-[{[{(2R)-2,3-Bis[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine [ACD/IUPAC Name]
5'-O-[{[{(2R)-2,3-Bis[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[[[[(2R)-2,3-bis[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
CDP-DG(16:1(9Z)/16:1(9Z))

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 952.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 157.2±6.0 kJ/mol
Flash Point: 529.8±37.1 °C
Index of Refraction: 1.552
Molar Refractivity: 238.5±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 4
ACD/LogP: 10.56
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 7.65
ACD/KOC (pH 5.5): 8.53
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 5.74
ACD/KOC (pH 7.4): 6.40
Polar Surface Area: 283 Å2
Polarizability: 94.6±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 747.0±7.0 cm3

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