Found 1 result

Search term: JDLXXAQKDPZINZ-GVDBMIGSSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-{2,3-Dideoxy-3-[4-({[(3-sulfamoylphenyl)carbamoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]-beta-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione | C20H24N8O7S

1-{2,3-Dideoxy-3-[4-({[(3-sulfamoylphenyl)carbamoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]-β-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC20H24N8O7S
  • Average mass520.519 Da
  • Monoisotopic mass520.148865 Da
  • ChemSpider ID129247637

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-{2,3-Dideoxy-3-[4-({[(3-sulfamoylphenyl)carbamoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]-β-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{2,3-Didesoxy-3-[4-({[(3-sulfamoylphenyl)carbamoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]-β-D-threo-pentofuranosyl}-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{2,3-Didésoxy-3-[4-({[(3-sulfamoylphényl)carbamoyl]amino}méthyl)-1H-1,2,3-triazol-1-yl]-β-D-thréo-pentofuranosyl}-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[3-[4-[[[[[3-(aminosulfonyl)phenyl]amino]carbonyl]amino]methyl]-1H-1,2,3-triazol-1-yl]-2,3-dideoxy-β-D-threo-pentofuranosyl]-5-methyl- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.775
Molar Refractivity: 124.0±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.58
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.83
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.81
Polar Surface Area: 219 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 83.3±7.0 dyne/cm
Molar Volume: 297.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement