ChemSpider 2D Image | 1-(2-Deoxy-beta-L-erythro-pentofuranosyl)-4-(hydroxyamino)-2(1H)-pyrimidinone | C9H13N3O5

1-(2-Deoxy-β-L-erythro-pentofuranosyl)-4-(hydroxyamino)-2(1H)-pyrimidinone

  • Molecular FormulaC9H13N3O5
  • Average mass243.217 Da
  • Monoisotopic mass243.085526 Da
  • ChemSpider ID24698657

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(2-Deoxy-β-L-erythro-pentofuranosyl)-4-(hydroxyamino)-2(1H)-pyrimidinone [ACD/IUPAC Name]
1-(2-Desoxy-β-L-erythro-pentofuranosyl)-4-(hydroxyamino)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-(2-Désoxy-β-L-érythro-pentofuranosyl)-4-(hydroxyamino)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-(2-deoxy-β-L-erythro-pentofuranosyl)-4-(hydroxyamino)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL478730/

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

Density: 1.8±0.1 g/cm3
Boiling Point: 528.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.4±6.0 kJ/mol
Flash Point: 273.4±32.9 °C
Index of Refraction: 1.719
Molar Refractivity: 53.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.67
ACD/LogD (pH 5.5): -2.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.53
ACD/LogD (pH 7.4): -2.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 79.9±7.0 dyne/cm
Molar Volume: 136.4±7.0 cm3

Click to predict properties on the Chemicalize site


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