ChemSpider 2D Image | 5'-O-[(R)-{[(S)-{(2R)-2,3-Bis[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine | C48H85N3O15P2

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

  • Molecular FormulaC48H85N3O15P2
  • Average mass1006.147 Da
  • Monoisotopic mass1005.545593 Da
  • ChemSpider ID59053473
  • 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

3,4-Dihydrocytidine, 5'-O-[[[[(2R)-2,3-bis[[(9E)-1-oxo-9-octadecen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
5'-O-[(R)-{[(S)-{(2R)-2,3-Bis[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidin [German] [ACD/IUPAC Name]
5'-O-[(R)-{[(S)-{(2R)-2,3-Bis[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine [ACD/IUPAC Name]
5'-O-[(R)-{[(S)-{(2R)-2,3-Bis[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine [French] [ACD/IUPAC Name]
5'-O-[{[{(2R)-2,3-Bis[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrocytidin [German] [ACD/IUPAC Name]
5'-O-[{[{(2R)-2,3-Bis[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrocytidine [ACD/IUPAC Name]
5'-O-[{[{(2R)-2,3-Bis[(9E)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrocytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[(R)-[[(S)-[(2R)-2,3-bis[[(9E)-1-oxo-9-octadecen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.546
Molar Refractivity: 257.0±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 4
ACD/LogP: 12.20
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 2442.28
ACD/KOC (pH 5.5): 943.38
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 2265.81
ACD/KOC (pH 7.4): 875.21
Polar Surface Area: 280 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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