Basic information
- Standard SMILES
CCOC(=O)CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C- InChIKey
NSYZCCDSJNWWJL-UHFFFAOYSA-N- Molecular formula
- C43H75NO16
- Average molar mass
- 862.1 g/mol
- Monoisotopic mass
- 861.5085853
Overview
Butanedioic acid O4-[4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-3-oxanyl] ester O1-ethyl ester is an aminoglycoside.
Names & identifiers
- Preferred name
- 4-(Dimethylamino)-2-((14-ethyl-7,12,13-trihydroxy-4-((5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradecan-6-yl)oxy)-6-methyloxan-3-yl ethyl butanedioate
- IUPAC
- 4-O-[4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] 1-O-ethyl butanedioate
Names & synonyms
DTXSID408596154-(Dimethylamino)-2-((14-ethyl-7,12,13-trihydroxy-4-((5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradecan-6-yl)oxy)-6-methyloxan-3-yl ethyl butanedioate4-(Dimethylamino)-2-({14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradecan-6-yl}oxy)-6-methyloxan-3-yl ethyl butanedioateRefChem:935771DTXCID50209243EryPedST075191C43H75NO16NCGC00183038-01CPD001491659Eryped1264-62-6orb321045
Show more names
CHEMBL4550869CHEBI:94382HMS3259M20HMS5082C06s4060STK177309AKOS005410741NC00597
Database identifiers
- PubChem CID
- 3256
- DTXSID
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 14
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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