ChemSpider 2D Image | (2R,3R,4S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-azido-4-fluoro-2-(hydroxymethyl)tetrahydro-3-furanyl methyl 7,7'-dimethoxy-4,4'-bi-1,3-benzodioxole-5,5'-dicarboxylate (non-preferred name) | C28H25FN6O13

(2R,3R,4S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-azido-4-fluoro-2-(hydroxymethyl)tetrahydro-3-furanyl methyl 7,7'-dimethoxy-4,4'-bi-1,3-benzodioxole-5,5'-dicarboxylate (non-preferred name)

  • Molecular FormulaC28H25FN6O13
  • Average mass672.529 Da
  • Monoisotopic mass672.146362 Da
  • ChemSpider ID34529082

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R,4S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-azido-4-fluor-2-(hydroxymethyl)tetrahydro-3-furanyl-methyl-7,7'-dimethoxy-4,4'-bi-1,3-benzodioxol-5,5'-dicarboxylat (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3R,4S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-azido-4-fluoro-2-(hydroxymethyl)tetrahydro-3-furanyl methyl 7,7'-dimethoxy-4,4'-bi-1,3-benzodioxole-5,5'-dicarboxylate (non-preferred name) [ACD/IUPAC Name]
7,7'-Diméthoxy-4,4'-bi-1,3-benzodioxole-5,5'-dicarboxylate de (2R,3R,4S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-azido-4-fluoro-2-(hydroxyméthyl)tétrahydro-3-furanyle et de méthyle (non-preferred nam e) [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: 19
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.91
ACD/KOC (pH 5.5): 136.68
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.30
ACD/KOC (pH 7.4): 144.38
Polar Surface Area: 208 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement