Found 1 result

Search term: ZPAVHMFARWZWPX-NVQRDWNXSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 8-[(6-Quinolinylmethyl)amino]adenosine | C20H21N7O4

8-[(6-Quinolinylmethyl)amino]adenosine

  • Molecular FormulaC20H21N7O4
  • Average mass423.425 Da
  • Monoisotopic mass423.165497 Da
  • ChemSpider ID23337034

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2r,3r,4s,5r)-2-(6-Amino-8-((Quinolin-7-Ylmethyl)amino)-9h-Purin-9-Yl)-5-(Hydroxymethyl)tetrahydrofuran-3,4-Diol
8-[(6-Chinolinylmethyl)amino]adenosin [German] [ACD/IUPAC Name]
8-[(6-Quinoléinylméthyl)amino]adénosine [French] [ACD/IUPAC Name]
8-[(6-Quinolinylmethyl)amino]adenosine [ACD/IUPAC Name]
Adenosine, 8-[(6-quinolinylmethyl)amino]- [ACD/Index Name]
(2R,3R,4S,5R)-2-{6-Amino-8-[(quinolin-6-ylmethyl)amino]purin-9-yl}-5-hydroxymethyltetrahydrofuran- 3,4-diol
8-[(quinolin-6-ylmethyl)amino]adenosine
GB8
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL515570/

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

Density: 1.8±0.1 g/cm3
Boiling Point: 825.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 453.1±37.1 °C
Index of Refraction: 1.842
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 47.74
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.16
ACD/KOC (pH 7.4): 79.02
Polar Surface Area: 164 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 83.4±7.0 dyne/cm
Molar Volume: 241.2±7.0 cm3

Click to predict properties on the Chemicalize site


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