Basic information
- CAS
13929-40-3- Standard SMILES
COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC5)c4c3C2=O)NC(=O)/C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C- InChIKey
OFFBKACOAWRZCJ-ZZKRLRCBSA-N- Molecular formula
- C43H56N2O13
- Average molar mass
- 808.9 g/mol
- Monoisotopic mass
- 808.37823985
Names & identifiers
- Preferred name
- Rifamycin B pyrrolidide
- 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-pyrrolidin-1-ylethoxy)-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 pyrrolidideBRN 5418443Rifamycin, 4-O-(2-oxo-2-(1-pyrrolidinyl)ethyl)-13929-40-3Pyrrolidine, 1-(((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)acetyl)-, 21-acetate
Database identifiers
- CAS
13929-40-3- PubChem CID
- 6444634
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,580
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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