ChemSpider 2D Image | 6-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-ribofuranosyl]-1,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one | C11H17N4O14P3

6-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-1,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one

  • Molecular FormulaC11H17N4O14P3
  • Average mass522.192 Da
  • Monoisotopic mass521.995422 Da
  • ChemSpider ID113714

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4H-Imidazo[4,5-c]pyridin-4-one, 6-amino-1,5-dihydro-1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]- [ACD/Index Name]
6-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-1,5-dihydro-4H-imidazo[4,5-c]pyridin-4-on [German] [ACD/IUPAC Name]
6-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-1,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one [ACD/IUPAC Name]
6-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-1,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one [French] [ACD/IUPAC Name]
[[[(2R,3R,4R,5R)-5-(3-amino-5-oxo-4,7,9-triazabicyclo[4.3.0]nona-2,7,1 0-trien-9-yl)-3,4-dihydroxy-o
103122-85-6 [RN]
3-Deaza-GTP
3-Deazaguanosine triphosphate

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.882
Molar Refractivity: 92.2±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.82
ACD/LogD (pH 5.5): -12.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 189.3±7.0 dyne/cm
Molar Volume: 201.0±7.0 cm3

Click to predict properties on the Chemicalize site


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