ChemSpider 2D Image | 5'-O-[({[(2S)-2,3-Bis{[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy}propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine | C52H85N3O13P2

5'-O-[({[(2S)-2,3-Bis{[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy}propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine

  • Molecular FormulaC52H85N3O13P2
  • Average mass1022.191 Da
  • Monoisotopic mass1021.555786 Da
  • ChemSpider ID21865791

  • 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-[({[(2S)-2,3-Bis{[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy}propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidin [German] [ACD/IUPAC Name]
5'-O-[({[(2S)-2,3-Bis{[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy}propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine [ACD/IUPAC Name]
5'-O-[({[(2S)-2,3-Bis{[(2E,6E,10E)-3,7,11,15-tétraméthyl-2,6,10,14-hexadécatétraén-1-yl]oxy}propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[[[[(2S)-2,3-bis[[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
5'-O-[{[{[(2S)-2,3-bis{[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}propyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol
CDP-2,3-digeranylgeranyl sn-G-1-P
  • Miscellaneous

    • Chemical Class:

      A nucleotide conjugate consisting of CDP joined at the 1-position of 2,3-bis-<element>O</element>-(geranylgeranyl)-<ital>sn</ital>-glycerol via a diphosphate linkage. ChEBI CHEBI:50726
      A nucleotide conjugate consisting of CDP joined at the 1-position of 2,3-bis-O-(geranylgeranyl)-sn-glycerol via a diphosphate linkage. ChEBI CHEBI:50726

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 980.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.0±6.0 kJ/mol
Flash Point: 546.9±37.1 °C
Index of Refraction: 1.536
Molar Refractivity: 272.2±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 4
ACD/LogP: 12.56
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 98.38
ACD/KOC (pH 5.5): 53.16
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 73.56
ACD/KOC (pH 7.4): 39.75
Polar Surface Area: 249 Å2
Polarizability: 107.9±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 873.6±7.0 cm3

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