ChemSpider 2D Image | 3-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-ribofuranosyl]-3H-diimidazo[1,2-c:4',5'-e][1,2,3]triazine | C11H15N6O13P3

3-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-3H-diimidazo[1,2-c:4',5'-e][1,2,3]triazine

  • Molecular FormulaC11H15N6O13P3
  • Average mass532.190 Da
  • Monoisotopic mass531.990967 Da
  • ChemSpider ID149402

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-3H-diimidazo[1,2-c:4',5'-e][1,2,3]triazin [German] [ACD/IUPAC Name]
3-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-3H-diimidazo[1,2-c:4',5'-e][1,2,3]triazine [ACD/IUPAC Name]
3-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-3H-diimidazo[1,2-c:4',5'-e][1,2,3]triazine [French] [ACD/IUPAC Name]
3H-Diimidazo[1,2-c:4',5'-e][1,2,3]triazine, 3-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]- [ACD/Index Name]
2-Aza-1,N6-etheno ATP
3H-Diimidazo(1,2-c:4',5'-e)(1,2,3)triazine, 3-(5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-β-D-ribofuranosyl)-
50663-89-3 [RN]
90-91-5 [RN]
Aza-ATP
Aza-ε-ATP

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

Density: 2.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.965
Molar Refractivity: 97.0±0.5 cm3
#H bond acceptors: 19
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.92
ACD/LogD (pH 5.5): -11.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 300 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 205.2±7.0 dyne/cm
Molar Volume: 198.6±7.0 cm3

Click to predict properties on the Chemicalize site


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