ChemSpider 2D Image | 4-Amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one | C8H12N4O4

4-Amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one

  • Molecular FormulaC8H12N4O4
  • Average mass228.205 Da
  • Monoisotopic mass228.085861 Da
  • ChemSpider ID21475139

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)- [ACD/Index Name]
4-Amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one [ACD/IUPAC Name]
4-Amino-1-(2-desoxy-β-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-on [German] [ACD/IUPAC Name]
4-Amino-1-(2-désoxy-β-D-érythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one [French] [ACD/IUPAC Name]
219-089-4 [EINECS]
2244-16-8 [RN]
2353-33-5 [RN]
4-Amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one
4-Amino-1-(2-deoxy-b-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one
More...
  • Miscellaneous

    • Bio Activity:

      DNA methyltransferase inhibitor Tocris Bioscience [2624]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 485.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.6±6.0 kJ/mol
Flash Point: 247.6±31.5 °C
Index of Refraction: 1.780
Molar Refractivity: 50.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.94
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.95
Polar Surface Area: 121 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 91.7±7.0 dyne/cm
Molar Volume: 119.8±7.0 cm3

Click to predict properties on the Chemicalize site


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