ChemSpider 2D Image | (2S,3S,4R,5R)-3-Amino-5-{6-[(3,5-dichlorobenzyl)amino]-9H-purin-9-yl}-4-hydroxy-N-methyltetrahydro-2-furancarboxamide (non-preferred name) | C18H19Cl2N7O3

(2S,3S,4R,5R)-3-Amino-5-{6-[(3,5-dichlorobenzyl)amino]-9H-purin-9-yl}-4-hydroxy-N-methyltetrahydro-2-furancarboxamide (non-preferred name)

  • Molecular FormulaC18H19Cl2N7O3
  • Average mass452.295 Da
  • Monoisotopic mass451.092651 Da
  • ChemSpider ID23269624

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4R,5R)-3-Amino-5-{6-[(3,5-dichlorbenzyl)amino]-9H-purin-9-yl}-4-hydroxy-N-methyltetrahydro-2-furancarboxamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-3-Amino-5-{6-[(3,5-dichlorobenzyl)amino]-9H-purin-9-yl}-4-hydroxy-N-methyltetrahydro-2-furancarboxamide (non-preferred name) [ACD/IUPAC Name]
(2S,3S,4R,5R)-3-Amino-5-{6-[(3,5-dichlorobenzyl)amino]-9H-purin-9-yl}-4-hydroxy-N-méthyltétrahydro-2-furanecarboxamide (non-preferred name) [French] [ACD/IUPAC Name]
(2S,3S,4R,5R)-3-amino-5-{6-[(3,5-dichlorobenzyl)amino]-9H-purin-9-yl}-4-hydroxy-N-methyltetrahydrofuran-2-carboxamide (non-preferred name)
(2S,3S,4R,5R)-5-(6-(3,5-dichlorobenzylamino)-9H-purin-9-yl)-3-amino-4-hydroxy-N-methyl-tetrahydrofuran-2-carboxamide
CHEMBL207924

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.783
Molar Refractivity: 108.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.82
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.30
ACD/KOC (pH 7.4): 106.89
Polar Surface Area: 140 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 71.7±7.0 dyne/cm
Molar Volume: 258.0±7.0 cm3

Click to predict properties on the Chemicalize site


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