ChemSpider 2D Image | (5S)-5-(4-Aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-4-cyano-4-deoxy-1-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-4-methyl-D-ribitol | C12H17N6O12P3

(5S)-5-(4-Aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-4-cyano-4-deoxy-1-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-4-methyl-D-ribitol

  • Molecular FormulaC12H17N6O12P3
  • Average mass530.218 Da
  • Monoisotopic mass530.011719 Da
  • ChemSpider ID76819665

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S)-5-(4-Aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-4-cyan-4-desoxy-1-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-4-methyl-D-ribitol [German] [ACD/IUPAC Name]
(5S)-5-(4-Aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-4-cyano-4-deoxy-1-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-4-methyl-D-ribitol [ACD/IUPAC Name]
(5S)-5-(4-Aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-4-cyano-4-désoxy-1-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-4-méthyl-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 5-C-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-4-cyano-4-deoxy-1-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-4-methyl-, (5S)- [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.831
Molar Refractivity: 100.4±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -6.05
ACD/LogD (pH 5.5): -12.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 155.8±7.0 dyne/cm
Molar Volume: 228.5±7.0 cm3

Click to predict properties on the Chemicalize site


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