ChemSpider 2D Image | 2-[(3R,5S)-3-{[Amino(iminio)methyl]amino}-5-({[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}methyl)-2-oxo-1-pyrrolidinyl]ethanesulfonate | C13H19BrN6O5S

2-[(3R,5S)-3-{[Amino(iminio)methyl]amino}-5-({[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}methyl)-2-oxo-1-pyrrolidinyl]ethanesulfonate

  • Molecular FormulaC13H19BrN6O5S
  • Average mass451.296 Da
  • Monoisotopic mass450.032104 Da
  • ChemSpider ID35516647

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(3R,5S)-3-{[Amino(iminio)methyl]amino}-5-({[(4-brom-1H-pyrrol-2-yl)carbonyl]amino}methyl)-2-oxo-1-pyrrolidinyl]ethansulfonat [German] [ACD/IUPAC Name]
2-[(3R,5S)-3-{[Amino(iminio)methyl]amino}-5-({[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}methyl)-2-oxo-1-pyrrolidinyl]ethanesulfonate [ACD/IUPAC Name]
2-[(3R,5S)-3-{[Amino(iminio)méthyl]amino}-5-({[(4-bromo-1H-pyrrol-2-yl)carbonyl]amino}méthyl)-2-oxo-1-pyrrolidinyl]éthanesulfonate [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: 11
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.87
ACD/LogD (pH 5.5): -5.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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