ChemSpider 2D Image | 5′-methylthioadenosine | C11H15N5O3S

5′-methylthioadenosine

  • Molecular FormulaC11H15N5O3S
  • Average mass297.333 Da
  • Monoisotopic mass297.089569 Da
  • ChemSpider ID24769445

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

5′-methylthioadenosine
9-[(5ξ)-6-Deoxy-2-thio-β-D-ribo-hexofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[(5ξ)-6-deoxy-2-thio-β-D-ribo-hexofuranosyl]- [ACD/Index Name]
2457-80-9 [RN]
5'-Methylthioadenosine
Adenosine, 5'-Smethyl- 5'-thio-

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

Density: 1.9±0.1 g/cm3
Boiling Point: 650.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 347.1±34.3 °C
Index of Refraction: 1.880
Molar Refractivity: 70.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.20
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.11
Polar Surface Area: 158 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 82.9±7.0 dyne/cm
Molar Volume: 154.8±7.0 cm3

Click to predict properties on the Chemicalize site


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