ChemSpider 2D Image | (2R,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-N-cyclopropyl-3,4-dihydroxytetrahydro-2-furancarboxamide (non-preferred name) | C13H16N6O4

(2R,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-N-cyclopropyl-3,4-dihydroxytetrahydro-2-furancarboxamide (non-preferred name)

  • Molecular FormulaC13H16N6O4
  • Average mass320.304 Da
  • Monoisotopic mass320.123291 Da
  • ChemSpider ID31044421

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-N-cyclopropyl-3,4-dihydroxytetrahydro-2-furancarboxamid (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-N-cyclopropyl-3,4-dihydroxytetrahydro-2-furancarboxamide (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-N-cyclopropyl-3,4-dihydroxytétrahydro-2-furanecarboxamide (non-preferred name) [French] [ACD/IUPAC Name]
5'-(N-Cyclopropyl)carboxamidoadenosine
50908-62-8 [RN]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.961
Molar Refractivity: 74.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.30
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.59
Polar Surface Area: 148 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 109.5±7.0 dyne/cm
Molar Volume: 152.6±7.0 cm3

Click to predict properties on the Chemicalize site


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