ChemSpider 2D Image | N-(4-Amino-3-iodobenzyl)-5'-deoxy-5'-[(N-methylglycyl)amino]adenosine | C20H25IN8O4

N-(4-Amino-3-iodobenzyl)-5'-deoxy-5'-[(N-methylglycyl)amino]adenosine

  • Molecular FormulaC20H25IN8O4
  • Average mass568.368 Da
  • Monoisotopic mass568.104309 Da
  • ChemSpider ID23243403

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Adenosine, N-[(4-amino-3-iodophenyl)methyl]-5'-deoxy-5'-[[2-(methylamino)acetyl]amino]- [ACD/Index Name]
N-(4-Amino-3-iodbenzyl)-5'-desoxy-5'-[(N-methylglycyl)amino]adenosin [German] [ACD/IUPAC Name]
N-(4-Amino-3-iodobenzyl)-5'-deoxy-5'-[(N-methylglycyl)amino]adenosine [ACD/IUPAC Name]
N-(4-Amino-3-iodobenzyl)-5'-désoxy-5'-[(N-méthylglycyl)amino]adénosine [French] [ACD/IUPAC Name]
CHEMBL369744
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL369744/
N-[6-(4-Amino-3-iodo-benzylamino)-9-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-1-yl]-2-methylamino-acetamide

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.806
Molar Refractivity: 125.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.25
Polar Surface Area: 172 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 75.7±7.0 dyne/cm
Molar Volume: 291.1±7.0 cm3

Click to predict properties on the Chemicalize site


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