ChemSpider 2D Image | (2S,3S,4R,5R)-5-[6-Amino-2-({2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}amino)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide (non-preferred name) | C25H35N9O5

(2S,3S,4R,5R)-5-[6-Amino-2-({2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}amino)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide (non-preferred name)

  • Molecular FormulaC25H35N9O5
  • Average mass541.603 Da
  • Monoisotopic mass541.276123 Da
  • ChemSpider ID58985561

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4R,5R)-5-[6-Amino-2-({2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}amino)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-[6-Amino-2-({2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl}amino)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide (non-preferred name) [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-[6-Amino-2-({2-[4-(2-méthoxyphényl)-1-pipérazinyl]éthyl}amino)-9H-purin-9-yl]-N-éthyl-3,4-dihydroxytétrahydro-2-furanecarboxamide (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.732
Molar Refractivity: 139.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.61
Polar Surface Area: 176 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 347.6±7.0 cm3

Click to predict properties on the Chemicalize site


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