ChemSpider 2D Image | N-[(5-Hydroxy-2-pyridinyl)methyl]-9-(beta-D-glycero-pentofuranosyl)-9H-purin-6-amine | C16H18N6O5

N-[(5-Hydroxy-2-pyridinyl)methyl]-9-(β-D-glycero-pentofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC16H18N6O5
  • Average mass374.351 Da
  • Monoisotopic mass374.133881 Da
  • ChemSpider ID32681375

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

9H-Purin-6-amine, N-[(5-hydroxy-2-pyridinyl)methyl]-9-β-D-glycero-pentofuranosyl- [ACD/Index Name]
N-[(5-Hydroxy-2-pyridinyl)methyl]-9-(β-D-glycero-pentofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
N-[(5-Hydroxy-2-pyridinyl)methyl]-9-(β-D-glycero-pentofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
N-[(5-Hydroxy-2-pyridinyl)méthyl]-9-(β-D-glycéro-pentofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
123369-41-5 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 841.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 462.8±37.1 °C
Index of Refraction: 1.826
Molar Refractivity: 90.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.77
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.12
Polar Surface Area: 159 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 86.2±7.0 dyne/cm
Molar Volume: 206.0±7.0 cm3

Click to predict properties on the Chemicalize site


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