ChemSpider 2D Image | 4-({2-[(4-Azido-2,3,5,6-tetrafluorobenzoyl)amino]ethyl}amino)-1-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2(1H)-pyrimidinone | C18H20F4N7O14P3

4-({2-[(4-Azido-2,3,5,6-tetrafluorobenzoyl)amino]ethyl}amino)-1-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC18H20F4N7O14P3
  • Average mass727.305 Da
  • Monoisotopic mass727.021729 Da
  • ChemSpider ID95640208

More details:

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

2(1H)-Pyrimidinone, 4-[[2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]ethyl]amino]-1-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]- [ACD/Index Name]
4-({2-[(4-Azido-2,3,5,6-tetrafluorbenzoyl)amino]ethyl}amino)-1-[2-desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-({2-[(4-Azido-2,3,5,6-tetrafluorobenzoyl)amino]ethyl}amino)-1-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-({2-[(4-Azido-2,3,5,6-tétrafluorobenzoyl)amino]éthyl}amino)-1-[2-désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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: 21
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -4.44
ACD/LogD (pH 5.5): -10.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 305 Å2
Polarizability:
Surface Tension:
Molar Volume:

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