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Basic information
- CAS
768394-95-2- Standard SMILES
O=C(O)CCCCCCCCCCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO- InChIKey
NFXZKHCDQLVCAM-MJSCVDMRSA-N- Molecular formula
- C18H35NO8
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.23626707
Names & identifiers
- Preferred name
- 1-[(11-Carboxyundecanoyl)amino]-1-deoxy-d-glucitol
- IUPAC
- 12-oxo-12-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]dodecanoic acid
Names & synonyms
1-[(11-carboxyundecanoyl)amino]-1-deoxy-d-glucitolSCHEMBL5972094NFXZKHCDQLVCAM-MJSCVDMRSA-NDTXSID701213594768394-95-21-[(11-Carboxy-1-oxoundecyl)amino]-1-deoxy-D-glucitol
Database identifiers
- CAS
768394-95-2- PubChem CID
- 11639776
- DTXSID
DTXSID701213594- EC Number
- 616-403-5
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 407
Related reactions
1 records
Compound notes
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