ChemSpider 2D Image | 9-[(3xi)-2-Thio-beta-D-threo-pentofuranosyl]-9H-purin-6-amine | C10H13N5O3S

9-[(3ξ)-2-Thio-β-D-threo-pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC10H13N5O3S
  • Average mass283.307 Da
  • Monoisotopic mass283.073914 Da
  • ChemSpider ID58785415

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

9-[(3ξ)-2-Thio-β-D-threo-pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[(3ξ)-2-Thio-β-D-threo-pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[(3ξ)-2-Thio-β-D-thréo-pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[(3ξ)-2-thio-β-D-threo-pentofuranosyl]- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 668.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.3±34.3 °C
Index of Refraction: 1.930
Molar Refractivity: 66.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.20
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.04
Polar Surface Area: 158 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 95.2±7.0 dyne/cm
Molar Volume: 139.6±7.0 cm3

Click to predict properties on the Chemicalize site


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