Basic information
- CAS
21399-71-3- Standard SMILES
CN(C)C1CC2CCCCC2CC1O.O=C(O)C(O)C(O)C(=O)O- InChIKey
XWZJIAGHVHCCRX-UHFFFAOYSA-N- Molecular formula
- C16H29NO7
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.19440226
Names & identifiers
- Preferred name
- 2,3-Dihydroxybutanedioic acid;3-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
- IUPAC
- 2,3-dihydroxybutanedioic acid;3-(dimethylamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
Names & synonyms
21399-71-3NSC281023DTXSID20314171NSC-2810232,3-Dihydroxybutanedioic acid--3-(dimethylamino)decahydronaphthalen-2-ol (1/1)
Database identifiers
- CAS
21399-71-3- PubChem CID
- 322797
- DTXSID
DTXSID20314171
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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