Antibiotic XK 41C
Basic information
- CAS
28022-11-9- Standard SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(O)C(O)[C@H](C)O2)[C@H](C)[C@@H](OC2OC(C)C[C@H](N(C)C)C2O)[C@](C)(OC2CC(N(C)C)C(O)C(C)O2)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O- InChIKey
LRWRQTMTYVZKQW-QIQQTWHTSA-N- Molecular formula
- C44H80N2O15
- Average molar mass
- 877.1 g/mol
- Monoisotopic mass
- 876.55586985
Overview
See also: Megalomicin A (annotation moved to).
Names & identifiers
- Preferred name
- Antibiotic XK 41C
- IUPAC
- (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(4R,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(4S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Names & synonyms
Antibiotic XK 41CAntibiotic W-847-AMegalomycinSCHEMBL29388051(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(4R,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-[(4S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7-[4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Database identifiers
- CAS
28022-11-9- PubChem CID
- 474871
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 227 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 9
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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