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Home> Hot Product Listed P   > Propanoic acid,2-methyl-,(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-aminoethyl)-10-[(2S,3S)-3-ethyl-3,6-dih...
137642-06-9 structure

Propanoic acid,2-methyl-,(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-aminoethyl)-10-[(2S,3S)-3-ethyl-3,6-dihydro-6-oxo-2H-pyran-2-yl]-5,8-dihydroxy-7-(phosphonooxy)-1,3,9-decatrien-1-yl]cyclohexylester

Iupac Name:N-(1-pyridin-3-ylethyl)aniline
CAS No.:137642-06-9
Molecular Weight:198.269
Molecular Formula:C31H45O7P (isomer)
Names and Identifiers
Synonyms

(+)-Phoslactomycin A [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 2-methylpropanoate 2-Methylpropanoic acid 3-[8-(2-aminoethyl)-10-[(3-ethyl-3,6-dihydro-6-oxo-2H-pyran)-2-yl]-5,8-dihydroxy-7-(phosphonooxy)deca-1,3,9-trien-1-yl]cyclohexyl ester Phoslactomycin A Propanoic acid, 2-methyl-,3-[8-(2-aminoethyl)-10-(3-ethyl-3,6-dihydro-6-oxo-2H-pyran-2-yl)-5,8-dihydroxy-7-(phosphonooxy)-1,3,9-decatrienyl]cyclohexylester, [2S-[2a[1Z(1R*,3S*),3Z,5S*,7S*,8S*,9E],3a]]- Propanoicacid, 2-methyl-,(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-aminoethyl)-10-[(2S,3S)-3-ethyl-3,6-dihydro-6-oxo-2H-pyran-2-yl]-5,8-dihydroxy-7-(phosphonooxy)-1,3,9-decatrienyl]cyclohexylester (9CI)

Inchi
InChI=1S/C13H14N2/c1-11(12-6-5-9-14-10-12)15-13-7-3-2-4-8-13/h2-11,15H,1H3
InChkey
HLOSIEUNEDTQHV-UHFFFAOYSA-N
Canonical Smiles
CC(C1=CN=CC=C1)NC2=CC=CC=C2
Computational chemical data
  • Molecular Weight:198.269g/mol
  • Molecular Formula:C31H45O7P
  • Compound Is Canonicalized:True
  • Exact Mass:198.116
  • Monoisotopic Mass:198.116
  • Complexity:175
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:15
  • 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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