25-Deacetyl 3-diethylaminomethyl rifamycin SV
Basic information
- CAS
16783-95-2- Standard SMILES
CCN(CC)Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4- InChIKey
ZAAJDBWOTJEGCZ-RTPFIOGCSA-N- Molecular formula
- C40H56N2O11
- Average molar mass
- 740.9 g/mol
- Monoisotopic mass
- 740.38841061
Names & identifiers
- Preferred name
- 25-Deacetyl 3-diethylaminomethyl rifamycin SV
- IUPAC
- (7S,9E,11S,12S,13S,14R,15R,16R,17S,18S,19E,21Z)-26-(diethylaminomethyl)-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaene-6,23-dione
Names & synonyms
25-Deacetyl 3-diethylaminomethyl rifamycin SVRifamycin, 25-O-deacetyl-3-((diethylamino)methyl)-16783-95-2Rifamycin, 25-O-deacetyl-3-[(diethylamino)methyl]-diethylaminomethyl-hexahydroxy-methoxy-heptamethyl-[?]dione(2S,16S,17S,18R,19R,20R,21S,22S,23S)-8-[(Diethylamino)methyl]-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-2,7-(epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,11-dione
Database identifiers
- CAS
16783-95-2- PubChem CID
- 6450869
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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