Found 1 result

Search term: ZLDNGTPGRKLXMI-LQHHRKQYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-[(2,2-Diphenylethyl)amino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-N-(2-{[(2-pyridinylmethyl)carbamoyl]amino}ethyl)-9H-purine-2-carboxamide | C36H40N10O6

6-[(2,2-Diphenylethyl)amino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-N-(2-{[(2-pyridinylmethyl)carbamoyl]amino}ethyl)-9H-purine-2-carboxamide

  • Molecular FormulaC36H40N10O6
  • Average mass708.766 Da
  • Monoisotopic mass708.313232 Da
  • ChemSpider ID24665677

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6-[(2,2-Diphenylethyl)amino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-N-(2-{[(2-pyridinylmethyl)carbamoyl]amino}ethyl)-9H-purin-2-carboxamid [German] [ACD/IUPAC Name]
6-[(2,2-Diphenylethyl)amino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-N-(2-{[(2-pyridinylmethyl)carbamoyl]amino}ethyl)-9H-purine-2-carboxamide [ACD/IUPAC Name]
6-[(2,2-Diphényléthyl)amino]-9-[(2R,3R,4S,5S)-5-(éthylcarbamoyl)-3,4-dihydroxytétrahydro-2-furanyl]-N-(2-{[(2-pyridinylméthyl)carbamoyl]amino}éthyl)-9H-purine-2-carboxamide [French] [ACD/IUPAC Name]
6-(2,2-diphenylethylamino)-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-N-(2-(3-(pyridin-2-ylmethyl)ureido)ethyl)-9H-purine-2-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.714
Molar Refractivity: 190.1±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.31
ACD/KOC (pH 5.5): 91.47
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.65
ACD/KOC (pH 7.4): 119.87
Polar Surface Area: 218 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 484.5±7.0 cm3

Click to predict properties on the Chemicalize site


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