ChemSpider 2D Image | 1,5-Anhydro-2,6-dideoxy-6-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-2-{[(4-fluorophenyl)acetyl]amino}-D-altritol | C21H24FN5O6

1,5-Anhydro-2,6-dideoxy-6-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-2-{[(4-fluorophenyl)acetyl]amino}-D-altritol

  • Molecular FormulaC21H24FN5O6
  • Average mass461.444 Da
  • Monoisotopic mass461.171051 Da
  • ChemSpider ID80832523

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,5-Anhydro-2,6-dideoxy-6-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-2-{[(4-fluorophenyl)acetyl]amino}-D-altritol [ACD/IUPAC Name]
1,5-Anhydro-2,6-didesoxy-6-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-2-{[(4-fluorphenyl)acetyl]amino}-D-altritol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,6-didésoxy-6-(1,3-diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-9H-purin-9-yl)-2-{[2-(4-fluorophényl)acétyl]amino}-D-altritol [French] [ACD/IUPAC Name]
D-Altritol, 1,5-anhydro-2,6-dideoxy-2-[[2-(4-fluorophenyl)acetyl]amino]-6-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin-9-yl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 112.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.23
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.76
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.76
Polar Surface Area: 137 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 292.1±7.0 cm3

Click to predict properties on the Chemicalize site


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