9-N,N-Dimethylamino-9-deoxy-10,11,12,13-tetrahydroniddamycin
Basic information
- CAS
135363-57-4- Standard SMILES
COC1C(O)CC(=O)OC(C)CCCCCC(N(C)C)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O- InChIKey
XKVKOEWRSDXDPU-UHFFFAOYSA-N- Molecular formula
- C42H76N2O13
- Average molar mass
- 817.1 g/mol
- Monoisotopic mass
- 816.53474048
Overview
synthetic antibiotic; structure given in first source; RN given refers to the (9S)-isomer
Names & identifiers
- Preferred name
- 9-N,N-Dimethylamino-9-deoxy-10,11,12,13-tetrahydroniddamycin
- IUPAC
- [6-[4-(dimethylamino)-6-[[10-(dimethylamino)-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-oxacyclohexadec-6-yl]oxy]-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
- English name
- 9-N,N-dimethylamino-9-deoxy-10,11,12,13-tetrahydroniddamycin
- Molecular formula
- C42H76N2O13
- Molecular weight
- 817.06
Names & synonyms
9-Dadtn135363-57-49-N,N-Dimethylamino-9-deoxy-10,11,12,13-tetrahydroniddamycinRefChem:108031Leucomycin V, 9-deoxy-9-(dimethylamino)-10,11,12,13-tetrahydro-, 4B-(3-methylbutanoate)[6-[4-(dimethylamino)-6-[[10-(dimethylamino)-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-oxacyclohexadec-6-yl]oxy]-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoateLeucomycin V, 9-deoxy-9-(dimethylamino)-10,11,12,13-tetrahydro-, 4B-(3-methylbutanoate) (9CI)
Database identifiers
- CAS
135363-57-4- PubChem CID
- 3083232
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 13
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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