Isoleucomycin A5
Basic information
- CAS
61799-76-6- Standard SMILES
CCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(CC=O)CC(C)/C=C\C=C\C(O)CC(C)OC(=O)CC(O)C3OC)C(O)C2N(C)C)CC1(C)O- InChIKey
QNIKGELGVXGPRI-KMUHKHSISA-N- Molecular formula
- C39H65NO14
- Average molar mass
- 771.9 g/mol
- Monoisotopic mass
- 771.44050575
Overview
structure
Names & identifiers
- Preferred name
- Isoleucomycin A5
- IUPAC
- [6-[6-[[(10Z,12E)-4,14-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-10,12-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate
Names & synonyms
Isoleucomycin A561799-76-6Leucomycin V, 9,10-didehydro-9-deoxy-10,13-dihydro-13-hydroxy-, 4B-butanoate, (13S)-RefChem:149475HI-78[6-[6-[[(10Z,12E)-4,14-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-10,12-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate
Database identifiers
- CAS
61799-76-6- PubChem CID
- 6443576
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 12
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,250
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Related reactions
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Compound notes
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