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Home> Hot Product Listed V   > Virginiamycin S1,5-[(2S)-4-hydroxy-2-piperidinecarboxylic acid]- (9CI)
173416-01-8 structure

Virginiamycin S1,5-[(2S)-4-hydroxy-2-piperidinecarboxylic acid]- (9CI)

Iupac Name:N-[1-(furan-2-yl)but-3-enyl]-4-methoxyaniline
CAS No.:173416-01-8
Molecular Weight:243.306
Molecular Formula:C13H21N3O3 (isomer)
Names and Identifiers
Synonyms

12H-Pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecine,cyclic peptide deriv. Dihydrostaphylomycin S Dihydrovirginiamycin S1 StaphylomycinS, 5-(4-hydroxy-L-pipecolic acid)- (8CI) Virginiamycin S1, 5-(4-hydroxy-L-2-piperidinecarboxylicacid)- Virginiamycin S1, dihydro-

Inchi
InChI=1S/C15H17NO2/c1-3-5-14(15-6-4-11-18-15)16-12-7-9-13(17-2)10-8-12/h3-4,6-11,14,16H,1,5H2,2H3
InChkey
OYJDMLZKWITUOG-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=C(C=C1)NC(CC=C)C2=CC=CO2
Isomers Smiles
COC1=CC=C(C=C1)N[C@@H](CC=C)C2=CC=CO2
Properties
Density
1.146
Boiling Point
584.1°C at 760 mmHg
Vapour
7.22E-05mmHg at 25°C
Refractive Index
1.571
Safety and Handling
HazardClass
IRRITANT
Computational chemical data
  • Molecular Weight:243.306g/mol
  • Molecular Formula:C13H21N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:243.126
  • Monoisotopic Mass:243.126
  • Complexity:249
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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