ChemSpider 2D Image | 1-[2-Deoxy-2-fluoro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-arabinofuranosyl]-5-iodo-2,4(1H,3H)-pyrimidinedione | C9H13FIN2O14P3

1-[2-Deoxy-2-fluoro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-arabinofuranosyl]-5-iodo-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H13FIN2O14P3
  • Average mass612.029 Da
  • Monoisotopic mass611.860840 Da
  • ChemSpider ID429326
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1-[2-Deoxy-2-fluoro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-arabinofuranosyl]-5-iodo-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[2-Desoxy-2-fluor-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-arabinofuranosyl]-5-iod-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[2-Désoxy-2-fluoro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-arabinofuranosyl]-5-iodo-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[2-deoxy-2-fluoro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-arabinofuranosyl]-5-iodo- [ACD/Index Name]
{[(4S,2R,3R,5R)-4-Fluoro-3-hydroxy-5-(5-iodo-2,4-dioxo(1,3-dihydropyrimidinyl))oxolan-2-yl]methoxy}(hydroxyphosphoryl) dihydrogen phosphate
2'-FLUORO-2'-DEOXY-5-IODOURACIL-β-D-ARABINOFURANOSIDE-5'-TRIPHOSPHATE
FIAUTP

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

AIDS114004 [DBID]
AIDS-114004 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 94.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.36
ACD/LogD (pH 5.5): -11.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 112.0±5.0 dyne/cm
Molar Volume: 257.4±5.0 cm3

Click to predict properties on the Chemicalize site






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