ChemSpider 2D Image | 4-Amino-1-(beta-D-lyxofuranosyl)-1,3,5-triazin-2(1H)-one | C8H12N4O5

4-Amino-1-(β-D-lyxofuranosyl)-1,3,5-triazin-2(1H)-one

  • Molecular FormulaC8H12N4O5
  • Average mass244.205 Da
  • Monoisotopic mass244.080765 Da
  • ChemSpider ID26606673

  • defined stereocentres - 4 of 4 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-β-D-lyxofuranosyl- [ACD/Index Name]
4-Amino-1-(β-D-lyxofuranosyl)-1,3,5-triazin-2(1H)-on [German] [ACD/IUPAC Name]
4-Amino-1-(β-D-lyxofuranosyl)-1,3,5-triazin-2(1H)-one [ACD/IUPAC Name]
4-Amino-1-(β-D-lyxofuranosyl)-1,3,5-triazin-2(1H)-one [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 518.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.0±6.0 kJ/mol
Flash Point: 267.2±32.9 °C
Index of Refraction: 1.823
Molar Refractivity: 51.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -3.17
ACD/LogD (pH 5.5): -5.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 106.8±7.0 dyne/cm
Molar Volume: 117.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement