ChemSpider 2D Image | 2-Amino-9-(2-deoxy-alpha-L-erythro-pentofuranosyl)-8-[(3,8-dimethyl-3H-imidazo[4,5-f]quinoxalin-2-yl)amino]-1,9-dihydro-6H-purin-6-one | C21H22N10O4

2-Amino-9-(2-deoxy-α-L-erythro-pentofuranosyl)-8-[(3,8-dimethyl-3H-imidazo[4,5-f]quinoxalin-2-yl)amino]-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC21H22N10O4
  • Average mass478.464 Da
  • Monoisotopic mass478.182556 Da
  • ChemSpider ID62571440

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Amino-9-(2-deoxy-α-L-erythro-pentofuranosyl)-8-[(3,8-dimethyl-3H-imidazo[4,5-f]quinoxalin-2-yl)amino]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-(2-desoxy-α-L-erythro-pentofuranosyl)-8-[(3,8-dimethyl-3H-imidazo[4,5-f]chinoxalin-2-yl)amino]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-(2-désoxy-α-L-érythro-pentofuranosyl)-8-[(3,8-diméthyl-3H-imidazo[4,5-f]quinoxalin-2-yl)amino]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-9-(2-deoxy-α-L-erythro-pentofuranosyl)-8-[(3,8-dimethyl-3H-imidazo[4,5-f]quinoxalin-2-yl)amino]-1,9-dihydro- [ACD/Index Name]
6H-Purin-6-one, 9-(2-deoxy-α-L-erythro-pentofuranosyl)-8-[(3,8-dimethyl-3H-imidazo[4,5-f]quinoxalin-2-yl)amino]-1,2,3,9-tetrahydro-2-imino- [ACD/Index Name]
9-(2-Deoxy-α-L-erythro-pentofuranosyl)-8-[(3,8-dimethyl-3H-imidazo[4,5-f]quinoxalin-2-yl)amino]-2-imino-1,2,3,9-tetrahydro-6H-purin-6-one [ACD/IUPAC Name]
9-(2-Desoxy-α-L-erythro-pentofuranosyl)-8-[(3,8-dimethyl-3H-imidazo[4,5-f]chinoxalin-2-yl)amino]-2-imino-1,2,3,9-tetrahydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-(2-Désoxy-α-L-érythro-pentofuranosyl)-8-[(3,8-diméthyl-3H-imidazo[4,5-f]quinoxalin-2-yl)amino]-2-imino-1,2,3,9-tétrahydro-6H-purin-6-one [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.944
Molar Refractivity: 118.8±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.47
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.18
Polar Surface Area: 188 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 95.0±7.0 dyne/cm
Molar Volume: 247.0±7.0 cm3

Click to predict properties on the Chemicalize site


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