ChemSpider 2D Image | [2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM | C14H26N4O11P2

[2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM

  • Molecular FormulaC14H26N4O11P2
  • Average mass488.324 Da
  • Monoisotopic mass488.107330 Da
  • ChemSpider ID26330256

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM
2(1H)-Pyrimidinone, 4-amino-1-[5-O-[(R)-hydroxy[[hydroxy[2-(trimethylammonio)ethoxy]phosphinyl]oxy]phosphinyl]-α-L-arabinofuranosyl]-, inner salt [ACD/Index Name]
4-Amino-1-{5-O-[(R)-hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]-α-L-arabinofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[(R)-hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]-α-L-arabinofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-O-[(R)-hydroxy({[2-(triméthylammonio)éthoxy]phosphinato}oxy)phosphoryl]-α-L-arabinofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
(2-{[(S)-({[(2S,3R,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)]oxy}ethyl)trimethylazanium
[2-({[(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl phosphonato}oxy)ethyl]trimethylazanium
{2-[({[(2S,3R,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]ethyl}trimethylazanium

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: 15
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -7.07
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): -7.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability:
Surface Tension:
Molar Volume:

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