ChemSpider 2D Image | 4-Amino-1-(2-deoxy-4-thio-beta-D-threo-pentofuranosyl)-2(1H)-pyrimidinone | C9H13N3O3S

4-Amino-1-(2-deoxy-4-thio-β-D-threo-pentofuranosyl)-2(1H)-pyrimidinone

  • Molecular FormulaC9H13N3O3S
  • Average mass243.283 Da
  • Monoisotopic mass243.067764 Da
  • ChemSpider ID58841414

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-4-thio-β-D-threo-pentofuranosyl)- [ACD/Index Name]
4-Amino-1-(2-deoxy-4-thio-β-D-threo-pentofuranosyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(2-desoxy-4-thio-β-D-threo-pentofuranosyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-(2-désoxy-4-thio-β-D-thréo-pentofuranosyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
134111-30-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 507.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.5±6.0 kJ/mol
Flash Point: 260.4±32.9 °C
Index of Refraction: 1.777
Molar Refractivity: 58.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.15
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.24
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.38
Polar Surface Area: 124 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 82.8±7.0 dyne/cm
Molar Volume: 139.1±7.0 cm3

Click to predict properties on the Chemicalize site


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