ChemSpider 2D Image | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylate | C15H20N4O4S

(4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylate

  • Molecular FormulaC15H20N4O4S
  • Average mass352.409 Da
  • Monoisotopic mass352.120514 Da
  • ChemSpider ID25056654

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylate
(4R,5S)-3-[(6R)-6,7-Dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl]-5-[(2S,3R)-3-hydroxy-1-oxo-2-butanyl]-4-methyl-4,5-dihydro-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
(4R,5S)-3-[(6R)-6,7-Dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl]-5-[(2S,3R)-3-hydroxy-1-oxo-2-butanyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
(4R,5S)-3-[(6R)-6,7-Dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl]-5-[(2S,3R)-3-hydroxy-1-oxo-2-butanyl]-4-méthyl-4,5-dihydro-1H-pyrrole-2-carboxylate [French] [ACD/IUPAC Name]
5H-Pyrazolo[1,2-a][1,2,4]triazol-4-ium, 6-[[(4R,5S)-2-carboxy-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4,5-dihydro-4-methyl-1H-pyrrol-3-yl]thio]-6,7-dihydro-, inner salt, (6R)- [ACD/Index 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: 3
#Freely Rotating Bonds: 6
#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: 136 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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