ChemSpider 2D Image | 5-{[Hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]oxy}cytidine | C14H26N4O12P2

5-{[Hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]oxy}cytidine

  • Molecular FormulaC14H26N4O12P2
  • Average mass504.323 Da
  • Monoisotopic mass504.102234 Da
  • ChemSpider ID57418846

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5-{[Hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]oxy}cytidin [German] [ACD/IUPAC Name]
5-{[Hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]oxy}cytidine [ACD/IUPAC Name]
5-{[Hydroxy({[2-(triméthylammonio)éthoxy]phosphinato}oxy)phosphoryl]oxy}cytidine [French] [ACD/IUPAC Name]
Cytidine, 5-[[hydroxy[[hydroxy[2-(trimethylammonio)ethoxy]phosphinyl]oxy]phosphinyl]oxy]-, inner salt [ACD/Index Name]
(2-{[({4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-5-yl}oxy)(hydroxy)phosphoryl phosphonato]oxy}ethyl)trimethylazanium
2-((((((4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-5-yl)oxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)-N,N,N-trimethylethan-1-aminium
2-((((((4-Amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-5-yl)oxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)-N,N,N-trimethylethanaminium
987-78-0 [RN]
Cytidine 5'-diphosphocholine

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -7.15
ACD/LogD (pH 5.5): -7.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability:
Surface Tension:
Molar Volume:

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