SDF/Mol File of Bicyclomycin (C12H18N2O7)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Bicyclomycin Molecule

• Chemical structure of Bicyclomycin

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Bicyclomycin is available in chemical structure page of Bicyclomycin, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of Bicyclomycin

  The molecular weight of Bicyclomycin is available in molecular weight page of Bicyclomycin, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of Bicyclomycin

  The chemical formula of Bicyclomycin is given in chemical formula page of Bicyclomycin, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of Bicyclomycin

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of Bicyclomycin is:

  InChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7-,10-,11+,12-/m0/s1

  It can provide a standard way to encode the molecular information of Bicyclomycin to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Bicyclomycin is:

  InChIKey=WOUDXEYYJPOSNE-VKZDFBPFSA-N

  The InChIKey may allow easier web searches for Bicyclomycin, but it needs to be linked to the full InChI to get back to the original structure of the Bicyclomycin since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of Bicyclomycin

  The Bicyclomycin compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Bicyclomycin including the registry numbers are listed below, if available:

  • (1R,6S)-1-hydroxy-2-methylidene-6-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione
  • CGP-3543/E
  • CGP 3543E
  • BDBM22600
  • J03U9E2P82
  • 38129-37-2
  • C12H18N2O7
  • (1R*,6S*)-6-Hydroxy-5-methylene-1-((1R*,2R*)-1,2,3-trihydroxy-2-methylpropyl)-2-oxa-7,9-diazabicyclo(4.2.2)decan-8,10-dione
  • CGP 3543/E
  • FR 1881

  • CGP 354E
  • WS 4545
  • Bicozamicina [INN-Spanish]
  • Bicozamycinum [INN-Latin]
  • Bicozamycine [INN-French]
  • Antibiotic WS 4545
  • Bicozamycin [INN]
  • Antibiotic 5879
  • Bacfeed
  • Bicozamycinum

  • Bicozamycine
  • Bicozamicina
  • Bacteron
  • Bicozamycin
  • Aizumycin
  • Bicyclomycin

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Bicyclomycin Identification Summary Frequently Asked Questions (FAQs)

What’s the Bicyclomycin formula?
C12H18N2O7
How many atoms and what elements are included in the Bicyclomycin molecule?
39 atom(s) - 18 Hydrogen atom(s), 12 Carbon atom(s), 2 Nitrogen atom(s), and 7 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the Bicyclomycin structure?
40 bond(s) - 22 non-H bond(s), 3 multiple bond(s), 3 rotatable bond(s), 3 double bond(s), 1 six-membered ring(s), 2 eight-membered ring(s), 2 secondary amide(s) (aliphatic), 4 hydroxyl group(s), 1 primary alcohol(s), 1 secondary alcohol(s), 1 tertiary alcohol(s), and 1 ether(s) (aliphatic)
What’s the Bicyclomycin’s molar mass?
302.28052 g/mol
What’s the SMILES structure of Bicyclomycin?
CC(O)(CO)C(O)C12NC(=O)C(O)(NC1=O)C(=C)CCO2
What’s the InChI code of Bicyclomycin?
InChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7-,10-,11+,12-/m0/s1
What’s the InChIKey format of Bicyclomycin?
WOUDXEYYJPOSNE-VKZDFBPFSA-N

174 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).