ChemSpider 2D Image | 6-Thio-dG | C10H13N5O3S

6-Thio-dG

  • Molecular FormulaC10H13N5O3S
  • Average mass283.307 Da
  • Monoisotopic mass283.073914 Da
  • ChemSpider ID48057935

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Amino-9-(2-deoxy-β-D-erythro-pentofuranosyl)-6-mercaptopurine
2-Amino-9-(2-deoxy-β-D-erythro-pentofuranosyl)-9H-purine-6(1H)-thione (7CI,8CI)
2-Amino-9-(2-deoxy-β-D-threo-pentofuranosyl)-3,9-dihydro-6H-purine-6-thione [ACD/IUPAC Name]
2-Amino-9-(2-desoxy-β-D-threo-pentofuranosyl)-3,9-dihydro-6H-purin-6-thion [German] [ACD/IUPAC Name]
2-Amino-9-(2-désoxy-β-D-thréo-pentofuranosyl)-3,9-dihydro-6H-purine-6-thione [French] [ACD/IUPAC Name]
6H-Purine-6-thione, 2-amino-9-(2-deoxy-β-D-threo-pentofuranosyl)-3,9-dihydro- [ACD/Index Name]
6-Thio-dG
789-61-7 [RN]
UP0750000
1394294-87-1 [RN]
More...

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

NSC 71261 [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: 709.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 382.6±35.7 °C
Index of Refraction: 1.930
Molar Refractivity: 66.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.91
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.60
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.64
Polar Surface Area: 150 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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