Basic information
- Standard SMILES
CC[C@@H](C)[C@@H](NCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O- InChIKey
ADLSFIUFBSPKJF-AGXWTHMFSA-N- Molecular formula
- C12H23NO7
- Average molar mass
- 293.31 g/mol
- Monoisotopic mass
- 293.14745207
Names & identifiers
- Preferred name
- N-(1-deoxyfructopyranos-1-yl)-D-isoleucine
- IUPAC
- (2R,3R)-3-methyl-2-[[(3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]pentanoic acid
Names & synonyms
ADLSFIUFBSPKJF-AGXWTHMFSA-NN-(1-deoxyfructopyranos-1-yl)-D-isoleucine
Database identifiers
- PubChem CID
- 86747745
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Related reactions
1 records
Compound notes
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