ChemSpider 2D Image | 5'-O-[({[2-(Methylammonio)ethoxy]phosphinato}oxy)phosphinato]cytidine | C12H21N4O11P2

5'-O-[({[2-(Methylammonio)ethoxy]phosphinato}oxy)phosphinato]cytidine

  • Molecular FormulaC12H21N4O11P2
  • Average mass459.263 Da
  • Monoisotopic mass459.068756 Da
  • ChemSpider ID26330825

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[({[2-(Methylammonio)ethoxy]phosphinato}oxy)phosphinato]cytidin [German] [ACD/IUPAC Name]
5'-O-[({[2-(Methylammonio)ethoxy]phosphinato}oxy)phosphinato]cytidine [ACD/IUPAC Name]
5'-O-[({[2-(Méthylammonio)éthoxy]phosphinato}oxy)phosphinato]cytidine [French] [ACD/IUPAC Name]
Cytidine, 5'-O-[hydroxy[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]phosphinyl]-, inner salt, ion(1-) [ACD/Index Name]
CDP-N-methylethanolamine
CDP-N-methylethanolamine anion
CDP-N-methylethanolamine(1-)
cytidine 5'-{3-[2-(methylazaniumyl)ethyl] diphosphate}
  • Miscellaneous

    • Chemical Class:

      Conjugate base of CDP-N-methylethanolamine having a dianionic diphosphate group and a protonated secondary amino group. ChEBI CHEBI:57547

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

Density:
Boiling Point: 725.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 392.5±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -4.01
ACD/LogD (pH 5.5): -7.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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