ChemSpider 2D Image | 4-Amino-1-(D-ribofuranosyl)-2(1H)-pyrimidinethione | C9H13N3O4S

4-Amino-1-(D-ribofuranosyl)-2(1H)-pyrimidinethione

  • Molecular FormulaC9H13N3O4S
  • Average mass259.282 Da
  • Monoisotopic mass259.062683 Da
  • ChemSpider ID58190952

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinethione, 4-amino-1-D-ribofuranosyl- [ACD/Index Name]
4-Amino-1-(D-ribofuranosyl)-2(1H)-pyrimidinethione [ACD/IUPAC Name]
4-Amino-1-(D-ribofuranosyl)-2(1H)-pyrimidinethione [French] [ACD/IUPAC Name]
4-Amino-1-(D-ribofuranosyl)-2(1H)-pyrimidinthion [German] [ACD/IUPAC Name]
13239-97-9 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 540.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.1±6.0 kJ/mol
Flash Point: 280.7±32.9 °C
Index of Refraction: 1.788
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: -1.33
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.12
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.13
Polar Surface Area: 144 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 80.0±7.0 dyne/cm
Molar Volume: 139.8±7.0 cm3

Click to predict properties on the Chemicalize site


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