Basic information
- CAS
91682-94-9- Standard SMILES
C#CC#CC=C=CC1OC1C1OC1C(O)C1CCC(=O)O1- InChIKey
JMBCDSUOYMQCGL-UHFFFAOYSA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Names & identifiers
- Preferred name
- 4,5-Dihydro-5-(2,3:4,5-diepoxy-1-hydroxydodeca-6,7-dien-9,11-diynyl)-2(3H)-furanone
- IUPAC
- 5-[[3-(3-hepta-1,2-dien-4,6-diynyloxiran-2-yl)oxiran-2-yl]-hydroxymethyl]oxolan-2-one
- English name
- 2(3H)-Furanone, 4,5-dihydro-5-(2,3:4,5-diepoxy-1-hydroxydodeca-6,7-die N-9,11-diy
- Molecular formula
- C16H14O5
- Molecular weight
- 286.27936
Names & synonyms
4,5-Dihydro-5-(2,3:4,5-diepoxy-1-hydroxydodeca-6,7-dien-9,11-diynyl)-2(3H)-furanoneorb3024315SCHEMBL10747440TN106062(3H)-Furanone, 4,5-dihydro-5-(2,3:4,5-diepoxy-1-hydroxydodeca-6,7-dien-9,11-diynyl)-cepacin B2(3H)-Furanone, 4,5-dihydro-5-(2,3:4,5-diepoxy-1-hydroxydodeca-6,7-die N-9,11-diy5-[[3-[3-(1,2-Heptadiene-4,6-diynyl)oxiranyl]oxiranyl]hydroxymethyl]-3,4-dihydro-2(5H)-furanone
Database identifiers
- CAS
91682-94-9- PubChem CID
- 56280
- Nikkaji
- J91.949G
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 621
Chemistry & industry
Applications
DescriptionCepacin B is an acetylenic antibiotic isolated from fermentation broth of Pseudomonas (Burkholderia) cepacia.
UsesCepacin B has anti-Gram positive and negative bacterial activity[1].
Suppliers3 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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