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Home> Encyclopedia > Hot Product Listed 5   > 5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-8-ethyl-9,10-dihydro-1...
170366-90-2 structure

5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-8-ethyl-9,10-dihydro-1,6,11-trihydroxy-, (10S)-

Iupac Name:2,2,2-trifluoro-1-(1H-indol-5-yl)ethanone
CAS No.:170366-90-2
Molecular Weight:213.159
Molecular Formula:C11H9NO2 (isomer)
Names and Identifiers
Synonyms

5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-8-ethyl-9,10-dihydro-1,6,11-trihydroxy-, (S)- Akrobomycin R 20P1 Rubomycin Q1

Inchi
InChI=1S/C10H6F3NO/c11-10(12,13)9(15)7-1-2-8-6(5-7)3-4-14-8/h1-5,14H
InChkey
BEAXZGXRMVALGL-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C=CN2)C=C1C(=O)C(F)(F)F
Properties
Density
1.18
Boiling Point
299.3°Cat760mmHg
Flash Point
173.2°C
Computational chemical data
  • Molecular Weight:213.159g/mol
  • Molecular Formula:C11H9NO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.1
  • Exact Mass:213.04
  • Monoisotopic Mass:213.04
  • Complexity:264
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:32.9A^2
  • Heavy Atom Count:15
  • 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: AAADcYByIYAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHwAQAAAADAzBnhQ8wPLJkACo A7R3RACCgCA1AiAI2aE4ZNgIIPLAlZGEIQhgkADIyYcYicCeCAACAAACAAAQAAQAAAQAAAAAAAAA AA==
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