ChemSpider 2D Image | 1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate | C44H77N3O15P2

1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate

  • Molecular FormulaC44H77N3O15P2
  • Average mass950.041 Da
  • Monoisotopic mass949.482971 Da
  • ChemSpider ID58827368
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate
5'-O-[({[(2R)-2,3-Bis(9-hexadecenoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidin [German] [ACD/IUPAC Name]
5'-O-[({[(2R)-2,3-Bis(9-hexadecenoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine [ACD/IUPAC Name]
5'-O-[({[(2R)-2,3-Bis(9-hexadecenoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[[[[(2R)-2,3-bis[(1-oxo-9-hexadecen-1-yl)oxy]propoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
5'-O-[{[{(2R)-2,3-bis[(hexadec-9-enoyl)oxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
CDP-1,2-dihexadec-9-enoylglycerol
CDP-1,2-dihexadec-9-enoyl-sn-glycerol
CDP-DG(16:1/16:1)
  • Miscellaneous
    • Chemical Class:

      A CDP-diacylglycerol in which the acyl groups at positions 1 and 2 are specified as hexadec-9-enoyl. ChEBI CHEBI:104012

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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