ChemSpider 2D Image | 9-(2-Deoxy-alpha-L-erythro-pentofuranosyl)-2-(isobutylamino)-1,9-dihydro-6H-purin-6-one | C14H21N5O4

9-(2-Deoxy-α-L-erythro-pentofuranosyl)-2-(isobutylamino)-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC14H21N5O4
  • Average mass323.348 Da
  • Monoisotopic mass323.159363 Da
  • ChemSpider ID62411522

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2Z)-9-(2-Deoxy-α-L-erythro-pentofuranosyl)-2-(isobutylimino)-1,2,3,9-tetrahydro-6H-purin-6-one [ACD/IUPAC Name]
(2Z)-9-(2-Desoxy-α-L-erythro-pentofuranosyl)-2-(isobutylimino)-1,2,3,9-tetrahydro-6H-purin-6-on [German] [ACD/IUPAC Name]
(2Z)-9-(2-Désoxy-α-L-érythro-pentofuranosyl)-2-(isobutylimino)-1,2,3,9-tétrahydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 9-(2-deoxy-α-L-erythro-pentofuranosyl)-1,2,3,9-tetrahydro-2-[(2-methylpropyl)imino]-, (2Z)- [ACD/Index Name]
6H-Purin-6-one, 9-(2-deoxy-α-L-erythro-pentofuranosyl)-1,9-dihydro-2-[(2-methylpropyl)amino]- [ACD/Index Name]
9-(2-Deoxy-α-L-erythro-pentofuranosyl)-2-(isobutylamino)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
9-(2-Desoxy-α-L-erythro-pentofuranosyl)-2-(isobutylamino)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-(2-Désoxy-α-L-érythro-pentofuranosyl)-2-(isobutylamino)-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]

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: 1.728
Molar Refractivity: 79.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.49
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.60
Polar Surface Area: 121 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 65.3±7.0 dyne/cm
Molar Volume: 198.7±7.0 cm3

Click to predict properties on the Chemicalize site


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