ChemSpider 2D Image | damituricin | C12H15BrN2O4

damituricin

  • Molecular FormulaC12H15BrN2O4
  • Average mass331.163 Da
  • Monoisotopic mass330.021515 Da
  • ChemSpider ID23076502

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4R)-4-{[(4-Brom-1H-pyrrol-2-yl)carbonyl]oxy}-1,1-dimethyl-2-pyrrolidiniumcarboxylat [German] [ACD/IUPAC Name]
(2R,4R)-4-{[(4-Bromo-1H-pyrrol-2-yl)carbonyl]oxy}-1,1-dimethyl-2-pyrrolidiniumcarboxylate [ACD/IUPAC Name]
(2R,4R)-4-{[(4-Bromo-1H-pyrrol-2-yl)carbonyl]oxy}-1,1-diméthyl-2-pyrrolidiniumcarboxylate [French] [ACD/IUPAC Name]
(2R,4R)-4-{[(4-bromo-1H-pyrrol-2-yl)carbonyl]oxy}-1,1-dimethylpyrrolidinium-2-carboxylate
damituricin
Pyrrolidinium, 4-[[(4-bromo-1H-pyrrol-2-yl)carbonyl]oxy]-2-carboxy-1,1-dimethyl-, inner salt, (2R,4R)- [ACD/Index Name]
(2R,4R)-cis-N,N'-dimethyl-4-hydroxyproline

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: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.65
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.71
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.71
Polar Surface Area: 82 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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