ChemSpider 2D Image | 5-[6-[9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]disulfanylpurin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol | C20H22N8O6S2

5-[6-[9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]disulfanylpurin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol

  • Molecular FormulaC20H22N8O6S2
  • Average mass534.569 Da
  • Monoisotopic mass534.110352 Da
  • ChemSpider ID240538

More details:

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

23520-98-1 [RN]
23520-99-2 [RN]
23592-45-2 [RN]
5-[6-[9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]disulfanylpurin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol

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

NSC118612 [DBID]
NSC119983 [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 926.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.2±3.0 kJ/mol
Flash Point: 514.3±37.1 °C
Index of Refraction: 1.950
Molar Refractivity: 127.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.09
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.15
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.15
Polar Surface Area: 237 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 104.9±7.0 dyne/cm
Molar Volume: 263.9±7.0 cm3

Click to predict properties on the Chemicalize site


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