Rifamycin B, N,N-dimethylamide

Substructure search Find similar structures

Basic information

CAS: 17607-33-9
Standard SMILES: CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
InChIKey: VRPOMUTWCLUKGH-MAJXACBLSA-N
Molecular formula: C41H54N2O13
Average molar mass: 782.9 g/mol
Monoisotopic mass: 782.36258978

Names & identifiers

Preferred name: Rifamycin B, N,N-dimethylamide
IUPAC: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-27-[2-(dimethylamino)-2-oxoethoxy]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-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, N,N-dimethylamide[[2-(dimethylamino)-2-oxo-ethoxy]-tetrahydroxy-methoxy-heptamethyl-dioxo-[?]yl] acetateAcetamide, 2-[[(2S,16S,17S,18R,19R,20R,21S,22R,23S)-21-(acetyloxy)-1,2-dihydro-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-9-yl]oxy]-N,N-dimethyl-

Database identifiers

CAS: 17607-33-9
PubChem CID: 6476577

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 211 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 13
Rotatable bonds: 6
Heavy atoms: 56
Formal charge: 0
Complexity: 1,520

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…