ChemSpider 2D Image | 2-Amino-9-(2-deoxy-alpha-D-threo-pentofuranosyl)-1,9-dihydro-6H-purin-6-one | C10H13N5O4

2-Amino-9-(2-deoxy-α-D-threo-pentofuranosyl)-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H13N5O4
  • Average mass267.241 Da
  • Monoisotopic mass267.096741 Da
  • ChemSpider ID24765652
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2-Amino-9-(2-deoxy-α-D-threo-pentofuranosyl)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-(2-desoxy-α-D-threo-pentofuranosyl)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-(2-désoxy-α-D-thréo-pentofuranosyl)-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-9-(2-deoxy-α-D-threo-pentofuranosyl)-1,9-dihydro- [ACD/Index Name]
116002-28-9 [RN]
2-Amino-9-((2S,4R,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one
2-Amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.907
Molar Refractivity: 60.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.03
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.01
Polar Surface Area: 135 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 107.6±7.0 dyne/cm
Molar Volume: 128.2±7.0 cm3

Click to predict properties on the Chemicalize site






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