Found 1 result

Search term: YZAFDLABYTZOPG-ADKDIUSASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S,3S,4R,5R)-5-(6-Amino-2-{[(1R,2R)-2-hydroxycyclopentyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide | C17H25N7O5

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

  • Molecular FormulaC17H25N7O5
  • Average mass407.424 Da
  • Monoisotopic mass407.191711 Da
  • ChemSpider ID23209568

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,3S,4R,5R)-5-(6-Amino-2-{[(1R,2R)-2-hydroxycyclopentyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamid [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-Amino-2-{[(1R,2R)-2-hydroxycyclopentyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-Amino-2-{[(1R,2R)-2-hydroxycyclopentyl]amino}-9H-purin-9-yl)-N-éthyl-3,4-dihydroxytétrahydro-2-furanecarboxamide [French] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-(6-amino-2-{[(1R,2R)-2-hydroxycyclopentyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)
(2S,3S,4R,5R)-5-[6-Amino-2-((1R,2R)-2-hydroxy-cyclopentylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide
CHEMBL130830

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.839
Molar Refractivity: 96.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.85
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.96
Polar Surface Area: 181 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 87.2±7.0 dyne/cm
Molar Volume: 217.9±7.0 cm3

Click to predict properties on the Chemicalize site


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