ChemSpider 2D Image | 5'-O-{Hydroxy[(hydroxy{(2R)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)oxy]phosphoryl}cytidine | C48H83N3O15P2

5'-O-{Hydroxy[(hydroxy{(2R)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)oxy]phosphoryl}cytidine

  • Molecular FormulaC48H83N3O15P2
  • Average mass1004.131 Da
  • Monoisotopic mass1003.529968 Da
  • ChemSpider ID113380431
  • 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-{Hydroxy[(hydroxy{(2R)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)oxy]phosphoryl}cytidin [German] [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{(2R)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)oxy]phosphoryl}cytidine [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{(2R)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propoxy}phosphoryl)oxy]phosphoryl}cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[hydroxy[[hydroxy[(2R)-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 979.5±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: 546.2±37.1 °C
Index of Refraction: 1.546
Molar Refractivity: 257.0±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 12.17
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 46.48
ACD/KOC (pH 5.5): 31.05
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 34.87
ACD/KOC (pH 7.4): 23.30
Polar Surface Area: 283 Å2
Polarizability: 101.9±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 810.9±7.0 cm3

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