ChemSpider 2D Image | 2'-Deoxy-N-(8-methoxy-5-oxo-5,6-dihydro[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-7-yl)adenosine | C27H22N6O7

2'-Deoxy-N-(8-methoxy-5-oxo-5,6-dihydro[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-7-yl)adenosine

  • Molecular FormulaC27H22N6O7
  • Average mass542.500 Da
  • Monoisotopic mass542.154968 Da
  • ChemSpider ID20129535

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

127191-86-0 [RN]
2'-Deoxy-N-(8-methoxy-5-oxo-5,6-dihydro[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-7-yl)adenosine [ACD/IUPAC Name]
2'-Desoxy-N-(8-methoxy-5-oxo-5,6-dihydro[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-7-yl)adenosin [German] [ACD/IUPAC Name]
2'-Désoxy-N-(8-méthoxy-5-oxo-5,6-dihydro[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-7-yl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 2'-deoxy-N-(5,6-dihydro-8-methoxy-5-oxo-1,3-benzodioxolo[6,5,4-cd]benz[f]indol-7-yl)- [ACD/Index Name]
Adenosine, 2'-deoxy-N-(5,6-dihydro-8-methoxy-5-oxobenzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-7-yl)-
(12Z)-12-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]imino-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1,6,8,11(19),13(18),14,16-heptaen-9-ol
2'-?deoxy-?N-?(5,?6-?dihydro-?8-?methoxy-?5-?oxobenzo[f]?-?1,?3-?benzodioxolo[6,?5,?4-?cd]?indol-?7-?yl)?-Adenosine
7-(2'-Deoxyadenosin-N6-yl)aristolactam I
7055-03-0 [RN]
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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: 1.891
Molar Refractivity: 133.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.48
ACD/KOC (pH 5.5): 411.09
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.49
ACD/KOC (pH 7.4): 411.14
Polar Surface Area: 162 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 84.3±7.0 dyne/cm
Molar Volume: 289.6±7.0 cm3

Click to predict properties on the Chemicalize site


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