ChemSpider 2D Image | 1-[(2xi,5S)-beta-D-(C~5~-~3~H_1_)-threo-Pentofuranosyl]-2(1H)-pyrimidinone | C9H11TN2O5

1-[(2ξ,5S)-β-D-(C5-3H1)-threo-Pentofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC9H11TN2O5
  • Average mass230.210 Da
  • Monoisotopic mass230.082840 Da
  • ChemSpider ID114394389

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-[(2ξ,5S)-β-D-(C5-3H1)-threo-Pentofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-[(2ξ,5S)-β-D-(C5-3H1)-threo-Pentofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
1-[(2ξ,5S)-β-D-(C5-3H1)-thréo-Pentofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-[(2ξ,5S)-β-D-threo-pentofuranosyl-C5-t]- [ACD/Index Name]

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

Density:
Boiling Point: 499.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.4±6.0 kJ/mol
Flash Point: 255.6±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.31
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.69
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.69
Polar Surface Area: 103 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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