ChemSpider 2D Image | 6-({(4R,5S,6S)-2-Carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl}sulfanyl)(1,3-~2~H_2_)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium | C15H17D2N4O4S

6-({(4R,5S,6S)-2-Carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl}sulfanyl)(1,3-2H2)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium

  • Molecular FormulaC15H17D2N4O4S
  • Average mass353.413 Da
  • Monoisotopic mass353.124695 Da
  • ChemSpider ID8793352

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

5H-Pyrazolo[1,2-a][1,2,4]triazol-4-ium-1,3-d2, 6-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-6,7-dihydro- [ACD/Index Name]
6-({(4R,5S,6S)-2-Carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl}sulfanyl)(1,3-2H2)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium [ACD/IUPAC Name]
6-({(4R,5S,6S)-2-Carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl}sulfanyl)(1,3-2H2)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium [German] [ACD/IUPAC Name]
6-({(4R,5S,6S)-2-Carboxy-6-[(1R)-1-hydroxyéthyl]-4-méthyl-7-oxo-1-azabicyclo[3.2.0]hept-2-én-3-yl}sulfanyl)(1,3-2H2)-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 125 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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