ChemSpider 2D Image | 9-[5-O-({[2-(6-Hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]carbonyl}sulfamoyl)-D-ribofuranosyl]-9H-purin-6-amine | C21H18N8O8S3

9-[5-O-({[2-(6-Hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]carbonyl}sulfamoyl)-D-ribofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC21H18N8O8S3
  • Average mass606.611 Da
  • Monoisotopic mass606.040955 Da
  • ChemSpider ID24658093

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

9-[5-O-({[2-(6-Hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]carbonyl}sulfamoyl)-D-ribofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[5-O-({[2-(6-Hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]carbonyl}sulfamoyl)-D-ribofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[5-O-({[2-(6-Hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]carbonyl}sulfamoyl)-D-ribofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[[2-(6-hydroxy-2-benzothiazolyl)-4-thiazolyl]carbonyl]amino]sulfonyl]-D-ribofuranosyl]- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.966
Molar Refractivity: 139.8±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 303 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 115.3±7.0 dyne/cm
Molar Volume: 286.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement