ChemSpider 2D Image | CDP-1L-myo-inositol | C15H25N3O16P2

CDP-1L-myo-inositol

  • Molecular FormulaC15H25N3O16P2
  • Average mass565.317 Da
  • Monoisotopic mass565.070984 Da
  • ChemSpider ID26332764
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

5'-O-{Hydroxy[(hydroxy{[(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]phosphoryl}cytidin [German] [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{[(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]phosphoryl}cytidine [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{[(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]phosphoryl}cytidine [French] [ACD/IUPAC Name]
CDP-1L-myo-inositol
Cytidine, 5'-O-[hydroxy[[hydroxy[[(1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl]oxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
CDP-3D-myo-inositol
  • Miscellaneous
    • Chemical Class:

      A nucleotide conjugate consisting of CDP joined at the 1<stereo>L</stereo>-position of <stereo>myo</stereo>-inositol via a diphosphate linkage. ChEBI CHEBI:62566
      A nucleotide conjugate consisting of CDP joined at the 1L-position of myo-inositol via a diphosphate linkage. ChEBI CHEBI:62566

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

Density: 2.4±0.1 g/cm3
Boiling Point: 854.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.2±6.0 kJ/mol
Flash Point: 470.7±37.1 °C
Index of Refraction: 1.824
Molar Refractivity: 102.4±0.5 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.17
ACD/LogD (pH 5.5): -10.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 331 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 148.8±7.0 dyne/cm
Molar Volume: 234.6±7.0 cm3

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