Found 1 result

Search term: NANAINBLSKKKCP-YRIIQKNPSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S,3S,4R,5R)-5-(6-[(2,2-Diphenylethyl)amino]-2-{[2-(1H-imidazol-4-yl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide | C31H35N9O4

(2S,3S,4R,5R)-5-(6-[(2,2-Diphenylethyl)amino]-2-{[2-(1H-imidazol-4-yl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide

  • Molecular FormulaC31H35N9O4
  • Average mass597.667 Da
  • Monoisotopic mass597.281189 Da
  • ChemSpider ID23209810

  • 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-[(2,2-Diphenylethyl)amino]-2-{[2-(1H-imidazol-4-yl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamid [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-[(2,2-Diphenylethyl)amino]-2-{[2-(1H-imidazol-4-yl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-[(2,2-Diphényléthyl)amino]-2-{[2-(1H-imidazol-4-yl)éthyl]amino}-9H-purin-9-yl)-N-éthyl-3,4-dihydroxytétrahydro-2-furanecarboxamide [French] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-[(2,2-diphenylethyl)amino]-2-{[2-(1H-imidazol-4-yl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)
(2S,3S,4R,5R)-5-{6-(2,2-Diphenyl-ethylamino)-2-[2-(1H-imidazol-4-yl)-ethylamino]-purin-9-yl}-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide
CHEMBL336608
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL336608/

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: 1.733
Molar Refractivity: 162.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.03
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 28.84
ACD/KOC (pH 7.4): 330.58
Polar Surface Area: 175 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 405.4±7.0 cm3

Click to predict properties on the Chemicalize site


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