ChemSpider 2D Image | 1-(3-Azido-5-O-{bis[2-(acetylsulfanyl)ethoxy]phosphoryl}-2,3-dideoxypentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione | C18H26N5O9PS2

1-(3-Azido-5-O-{bis[2-(acetylsulfanyl)ethoxy]phosphoryl}-2,3-dideoxypentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC18H26N5O9PS2
  • Average mass551.531 Da
  • Monoisotopic mass551.090942 Da
  • ChemSpider ID13289145

More details:

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

1-(3-Azido-5-O-{bis[2-(acetylsulfanyl)ethoxy]phosphoryl}-2,3-dideoxypentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(3-azido-5-O-{bis[2-(acetylsulfanyl)ethoxy]phosphoryl}-2,3-dideoxypentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
1-(3-Azido-5-O-{bis[2-(acetylsulfanyl)ethoxy]phosphoryl}-2,3-didesoxypentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(3-Azido-5-O-{bis[2-(acétylsulfanyl)éthoxy]phosphoryl}-2,3-didésoxypentofuranosyl)-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[3-azido-5-O-[bis[2-(acetylthio)ethoxy]phosphinyl]-2,3-dideoxypentofuranosyl]-5-methyl- [ACD/Index Name]
Thioacetic acid S-(2-{(2-acetylsulfanyl-ethoxy)-[3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-phosphoryloxy}-ethyl) ester

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: 14
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.15
ACD/KOC (pH 5.5): 60.19
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.13
ACD/KOC (pH 7.4): 59.78
Polar Surface Area: 210 Å2
Polarizability:
Surface Tension:
Molar Volume:

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