ChemSpider 2D Image | 2-Amino-9-(2-deoxy-3,5-di-O-phosphonopentofuranosyl)-8-[(Z)-(3,8-dimethyl-3,3a-dihydro-2H-imidazo[4,5-f]quinoxalin-2-ylidene)amino]-3,9-dihydro-6H-purin-6-one | C21H24N10O10P2

2-Amino-9-(2-deoxy-3,5-di-O-phosphonopentofuranosyl)-8-[(Z)-(3,8-dimethyl-3,3a-dihydro-2H-imidazo[4,5-f]quinoxalin-2-ylidene)amino]-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC21H24N10O10P2
  • Average mass638.424 Da
  • Monoisotopic mass638.115234 Da
  • ChemSpider ID7851701

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Amino-9-(2-deoxy-3,5-di-O-phosphonopentofuranosyl)-8-[(Z)-(3,8-dimethyl-3,3a-dihydro-2H-imidazo[4,5-f]quinoxalin-2-ylidene)amino]-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-(2-desoxy-3,5-di-O-phosphonopentofuranosyl)-8-[(Z)-(3,8-dimethyl-3,3a-dihydro-2H-imidazo[4,5-f]chinoxalin-2-yliden)amino]-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-(2-désoxy-3,5-di-O-phosphonopentofuranosyl)-8-[(Z)-(3,8-diméthyl-3,3a-dihydro-2H-imidazo[4,5-f]quinoxalin-2-ylidène)amino]-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-9-(2-deoxy-3,5-di-O-phosphonopentofuranosyl)-8-[[(2Z)-3,3a-dihydro-3,8-dimethyl-2H-imidazo[4,5-f]quinoxalin-2-ylidene]amino]-3,9-dihydro- [ACD/Index Name]
152432-43-4 [RN]
2'-Deoxy-8-((3,8-dimethyl-3H-imidazo(4,5-f)quinoxalin-2-yl)amino)-3'-guanylic acid 5'-(dihydrogen phosphate)
3'-Guanylic acid, 2'-deoxy-8-((3,8-dimethyl-3H-imidazo(4,5-f)quinoxalin-2-yl)amino)-, 5'-(dihydrogen phosphate)
Dgdiqdp
N(2)-(Deoxyguanosin-8-yl)-2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline 3',5'-diphosphate

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1018.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.8±3.0 kJ/mol
Flash Point: 569.6±37.1 °C
Index of Refraction: 1.939
Molar Refractivity: 138.7±0.5 cm3
#H bond acceptors: 20
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.66
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 301 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 129.5±7.0 dyne/cm
Molar Volume: 289.6±7.0 cm3

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