ChemSpider 2D Image | UK-432,097 | C40H47N11O6

UK-432,097

  • Molecular FormulaC40H47N11O6
  • Average mass777.871 Da
  • Monoisotopic mass777.371094 Da
  • ChemSpider ID8009243
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

380221-63-6 [RN]
6-[(2,2-Diphenylethyl)amino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-N-[2-({[1-(2-pyridinyl)-4-piperidinyl]carbamoyl}amino)ethyl]-9H-purin-2-carboxamid (non-preferred na me) [German] [ACD/IUPAC Name]
6-[(2,2-Diphenylethyl)amino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-N-[2-({[1-(2-pyridinyl)-4-piperidinyl]carbamoyl}amino)ethyl]-9H-purine-2-carboxamide (non-preferred name) [ACD/IUPAC Name]
6-[(2,2-Diphényléthyl)amino]-9-[(2R,3R,4S,5S)-5-(éthylcarbamoyl)-3,4-dihydroxytétrahydro-2-furanyl]-N-[2-({[1-(2-pyridinyl)-4-pipéridinyl]carbamoyl}amino)éthyl]-9H-purine-2-carboxamide (non-preferred name) [French] [ACD/IUPAC Name]
8L3OAJ1R5A
UK-432,097 [Wiki]
UK-432097
6-(2,2-diphenylethylamino)-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-N-(2-(3-(1-(pyridin-2-yl)piperidin-4-yl)ureido)ethyl)-9H-purine-2-carboxamide
6-(2,2-Diphenylethylamino)-9-[(2r,3r,4s,5s)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-Oxolan-2-Yl]-N-[2-[(1-Pyridin-2-Ylpiperidin-4-Yl)carbamoylamino]ethyl]purine-2-Carboxamide
6-[2,2-di(phenyl)ethylamino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-2-tetrahydrofuranyl]-N-[2-[[oxo-[[1-(2-pyridyl)-4-piperidinyl]amino]methyl]amino]ethyl]-2-purinecarboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.721
Molar Refractivity: 209.9±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.17
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 16.45
Polar Surface Area: 221 Å2
Polarizability: 83.2±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 530.7±7.0 cm3

Click to predict properties on the Chemicalize site





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