Basic information
- CAS
55372-22-0- Standard SMILES
CCCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(O/C=C/C(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)/C=C/C=C(\C)C(=O)N2)O4)N1CCCCC1- InChIKey
QIAHUYUGMUZYSJ-ZCLLGAQWSA-N- Molecular formula
- C47H65N3O13
- Average molar mass
- 880 g/mol
- Monoisotopic mass
- 879.45173914
Names & identifiers
- Preferred name
- Rifamycin B piperidinylpropylamide
- IUPAC
- [(9E,19E,21E)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-27-[2-oxo-2-[piperidin-1-yl(propyl)amino]ethoxy]-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
Names & synonyms
Rifamycin B piperidinylpropylamideBRN 541884255372-22-0Acetamide, 2-((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)-N-piperidino-N-propyl-, 21-acetate
Database identifiers
- CAS
55372-22-0- PubChem CID
- 6446196
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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