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Home> Encyclopedia > Hot Product Listed 5   > 5,12-Naphthacenedione,8-ethyl-7,8,9,10-tetrahydro-1,6,7,8-tetrahydroxy-10-[[2,3,6-trideoxy-3-(dimeth...
479028-68-7 structure

5,12-Naphthacenedione,8-ethyl-7,8,9,10-tetrahydro-1,6,7,8-tetrahydroxy-10-[[2,3,6-trideoxy-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-,[7R-(7a,8b,10b)]- (9CI)

Iupac Name:7-fluoro-1,3-benzothiazole-2-carboxylic acid
CAS No.:479028-68-7
Molecular Weight:197.183
Molecular Formula:C15H15NO (isomer)
Names and Identifiers
Synonyms

AntibioticY 262-3 Yellamycin A

Inchi
InChI=1S/C8H4FNO2S/c9-4-2-1-3-5-6(4)13-7(10-5)8(11)12/h1-3H,(H,11,12)
InChkey
UFJHEWFHXPBNRI-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C(=C1)F)SC(=N2)C(=O)O
Properties
Density
1.76
Computational chemical data
  • Molecular Weight:197.183g/mol
  • Molecular Formula:C15H15NO
  • Compound Is Canonicalized:True
  • Exact Mass:196.995
  • Monoisotopic Mass:196.995
  • Complexity:226
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:78.4A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYByMQBAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHwQACAAACAiB1ggwybIIEgis ASTyTASD8KBjCjgImDSwZJgKIKLgkbGEIAhggAD4yAcQAAAAAAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
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