ChemSpider 2D Image | 4-Amino-1-[(4xi)-2-deoxy-beta-D-glycero-pentofuranosyl]-5-ethynyl-2(1H)-pyrimidinone | C11H13N3O4

4-Amino-1-[(4ξ)-2-deoxy-β-D-glycero-pentofuranosyl]-5-ethynyl-2(1H)-pyrimidinone

  • Molecular FormulaC11H13N3O4
  • Average mass251.239 Da
  • Monoisotopic mass251.090607 Da
  • ChemSpider ID30650417

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[(4ξ)-2-deoxy-β-D-glycero-pentofuranosyl]-5-ethynyl- [ACD/Index Name]
4-Amino-1-[(4ξ)-2-deoxy-β-D-glycero-pentofuranosyl]-5-ethynyl-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(4ξ)-2-desoxy-β-D-glycero-pentofuranosyl]-5-ethinyl-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[(4ξ)-2-désoxy-β-D-glycéro-pentofuranosyl]-5-éthynyl-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 475.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.2±6.0 kJ/mol
Flash Point: 241.5±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 60.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.72
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.73
Polar Surface Area: 108 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 162.5±7.0 cm3

Click to predict properties on the Chemicalize site


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