ChemSpider 2D Image | 1-hexadecanoyl-2-[(Z)-octadec-9-enoyl]-sn-glycero-3-cytidine 5'-diphosphate | C46H83N3O15P2

1-hexadecanoyl-2-[(Z)-octadec-9-enoyl]-sn-glycero-3-cytidine 5'-diphosphate

  • Molecular FormulaC46H83N3O15P2
  • Average mass980.110 Da
  • Monoisotopic mass979.529968 Da
  • ChemSpider ID4445469

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-hexadecanoyl-2-[(Z)-octadec-9-enoyl]-sn-glycero-3-cytidine 5'-diphosphate
5'-O-{Hydroxy[(hydroxy{2-[(9Z)-9-octadecenoyloxy]-3-(palmitoyloxy)propoxy}phosphoryl)oxy]phosphoryl}cytidin [German] [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{2-[(9Z)-9-octadecenoyloxy]-3-(palmitoyloxy)propoxy}phosphoryl)oxy]phosphoryl}cytidine [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{2-[(9Z)-9-octadecenoyloxy]-3-(palmitoyloxy)propoxy}phosphoryl)oxy]phosphoryl}cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[hydroxy[[hydroxy[3-[(1-oxohexadecyl)oxy]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5'-diphosphate

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

C13892 [DBID]

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): 5.22
ACD/BCF (pH 5.5): 487.95
ACD/KOC (pH 5.5): 167.10
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 366.11
ACD/KOC (pH 7.4): 125.38
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

Click to predict properties on the Chemicalize site


Advertisement