Basic information
- CAS
13149-68-3- Standard SMILES
CC(C)N(CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O)C(C)C- InChIKey
CUEHNLMLFJFMER-FOUMNBMASA-N- Molecular formula
- C14H27NO8
- Average molar mass
- 337.37 g/mol
- Monoisotopic mass
- 337.17366682
Names & identifiers
- Preferred name
- D-Gluconic acid, 6-ester with N,N-diisopropylglycine
- IUPAC
- (2R,3S,4R,5R)-6-[2-[di(propan-2-yl)amino]acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid
Names & synonyms
13149-68-3D-Gluconic acid, 6-ester with N,N-diisopropylglycineEINECS 236-087-96-o-[n,n-di(propan-2-yl)glycyl]-d-gluconic acidDTXSID60927224(2R,3S,4R,5R)-6-[2-[di(propan-2-yl)amino]acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid6-o-[n,n-di(propan-2-yl)glycyl]hexonic acid
Database identifiers
- CAS
13149-68-3- PubChem CID
- 83181
- DTXSID
DTXSID60927224- EC Number
- 236-087-9
- Nikkaji
- J8.090J
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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