ChemSpider 2D Image | 4-Amino-5-ethynyl-1-pentofuranosyl-2(1H)-pyrimidinone | C11H13N3O5

4-Amino-5-ethynyl-1-pentofuranosyl-2(1H)-pyrimidinone

  • Molecular FormulaC11H13N3O5
  • Average mass267.238 Da
  • Monoisotopic mass267.085510 Da
  • ChemSpider ID11620140

More details:

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

2(1H)-Pyrimidinone, 4-amino-5-ethynyl-1-pentofuranosyl- [ACD/Index Name]
4-Amino-5-ethinyl-1-pentofuranosyl-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-5-ethynyl-1-pentofuranosyl-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-5-éthynyl-1-pentofuranosyl-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-amino-5-ethynyl-1-pentofuranosylpyrimidin-2(1H)-one
(EAC)4-Amino-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-ethynyl-1H-pyrimidin-2-one

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

Density: 1.7±0.1 g/cm3
Boiling Point: 518.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.1±6.0 kJ/mol
Flash Point: 267.5±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 61.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.67
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.74
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.74
Polar Surface Area: 129 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 71.7±7.0 dyne/cm
Molar Volume: 159.8±7.0 cm3

Click to predict properties on the Chemicalize site


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