ChemSpider 2D Image | 4-Amino-1-(4-thio-alpha-L-xylofuranosyl)-2(1H)-pyrimidinone | C9H13N3O4S

4-Amino-1-(4-thio-α-L-xylofuranosyl)-2(1H)-pyrimidinone

  • Molecular FormulaC9H13N3O4S
  • Average mass259.282 Da
  • Monoisotopic mass259.062683 Da
  • ChemSpider ID62300595

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 3,4-dihydro-4-imino-1-(4-thio-α-L-xylofuranosyl)- [ACD/Index Name]
2(1H)-Pyrimidinone, 4-amino-1-(4-thio-α-L-xylofuranosyl)- [ACD/Index Name]
4-Amino-1-(4-thio-α-L-xylofuranosyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-(4-thio-α-L-xylofuranosyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(4-thio-α-L-xylofuranosyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-Imino-1-(4-thio-α-L-xylofuranosyl)-3,4-dihydro-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Imino-1-(4-thio-α-L-xylofuranosyl)-3,4-dihydro-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Imino-1-(4-thio-α-L-xylofuranosyl)-3,4-dihydro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.814
Molar Refractivity: 59.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -2.06
ACD/LogD (pH 5.5): -3.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 94.5±7.0 dyne/cm
Molar Volume: 136.4±7.0 cm3

Click to predict properties on the Chemicalize site


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