Basic information
- CAS
126262-07-5- Standard SMILES
CC(C)CC(NC(=O)C(O)C(O)C(N)C(C)C)C1Cc2cccc(O)c2C(=O)O1- InChIKey
FFHBLZAZBVDUEH-UHFFFAOYSA-N- Molecular formula
- C21H32N2O6
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.22603674
Overview
structure given in first source
Names & identifiers
- Preferred name
- Y 05460M-A
- IUPAC
- 4-amino-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-5-methylhexanamide
Names & synonyms
Y 05460M-A126262-07-5Y-05640M-AHexonamide, 4-amino-4,5,6-trideoxy-N-(1-(3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl)-5-methyl-RefChem:1955604-amino-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-5-methylhexanamideY-05460M-A
Database identifiers
- CAS
126262-07-5- PubChem CID
- 196800
- Nikkaji
- J806.738D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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