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Search term: InChIKey=OOOIYMZGLXSVKX-XVFCMESISA-L (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-(5-O-Phosphono-beta-D-ribofuranosyl)-2-selanyl-4(1H)-pyrimidinone | C9H13N2O8PSe


  • Molecular FormulaC9H13N2O8PSe
  • Average mass387.142 Da
  • Monoisotopic mass387.957458 Da
  • ChemSpider ID26339248
  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-(5-O-Phosphono-β-D-ribofuranosyl)-2-selanyl-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-(5-O-Phosphono-β-D-ribofuranosyl)-2-selanyl-4(1H)-pyrimidinone [ACD/IUPAC Name]
1-(5-O-Phosphono-β-D-ribofuranosyl)-2-sélanyl-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4(1H)-Pyrimidinone, 1-(5-O-phosphono-β-D-ribofuranosyl)-2-selenyl- [ACD/Index Name]
1-(5-O-Phosphono-β-D-ribofuranosyl)-2-selenoxo-2,3-dihydro-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-(5-O-Phosphono-β-D-ribofuranosyl)-2-selenoxo-2,3-dihydro-4(1H)-pyrimidinone [ACD/IUPAC Name]
1-(5-O-Phosphono-β-D-ribofuranosyl)-2-sélénoxo-2,3-dihydro-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4(1H)-Pyrimidinone, 2,3-dihydro-1-(5-O-phosphono-β-D-ribofuranosyl)-2-selenoxo- [ACD/Index Name]

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

Boiling Point: 698.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.9±6.0 kJ/mol
Flash Point: 376.0±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -6.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Surface Tension:
Molar Volume:

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