ChemSpider 2D Image | (2S,3S,4R,5R)-5-(6-Amino-2-{[2-(4-{3-[(2-aminoethyl)amino]-3-oxopropyl}phenyl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide | C25H35N9O5

(2S,3S,4R,5R)-5-(6-Amino-2-{[2-(4-{3-[(2-aminoethyl)amino]-3-oxopropyl}phenyl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide

  • Molecular FormulaC25H35N9O5
  • Average mass541.603 Da
  • Monoisotopic mass541.276123 Da
  • ChemSpider ID2339280

  • 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-{3-[(2-aminoethyl)amino]-3-oxopropyl}phenyl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamid [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-Amino-2-{[2-(4-{3-[(2-aminoethyl)amino]-3-oxopropyl}phenyl)ethyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-Amino-2-{[2-(4-{3-[(2-aminoéthyl)amino]-3-oxopropyl}phényl)éthyl]amino}-9H-purin-9-yl)-N-éthyl-3,4-dihydroxytétrahydro-2-furanecarboxamide [French] [ACD/IUPAC Name]
126828-50-0 [RN]
2-((2-Aminoethylamino)carbonylethylphenylethylamino)-5'-N-ethylcarboxamidoadenosine
Apec-2
β-D-Ribofuranuronamide, 1-(6-amino-2-((2-(4-(3-((2-aminoethyl)amino)-3-oxopropyl)phenyl)ethyl)amino)-9H-purin-9-yl)-1-deoxy-N-ethyl-

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: 1.727
Molar Refractivity: 138.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -3.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 216 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 69.0±7.0 dyne/cm
Molar Volume: 347.6±7.0 cm3

Click to predict properties on the Chemicalize site


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