2-Furanpropionic acid, tetrahydro-alpha-(1-naphthylmethyl)-, 2-(dimethylamino)ethyl ester, oxalate (1:1)
Basic information
- CAS
3209-86-7- Standard SMILES
C[NH+](C)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1.O=C([O-])C(=O)O- InChIKey
AKFQENNFMKAKGN-UHFFFAOYSA-N- Molecular formula
- C24H31NO7
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.21005233
Names & identifiers
- Preferred name
- 2-Furanpropionic acid, tetrahydro-alpha-(1-naphthylmethyl)-, 2-(dimethylamino)ethyl ester, oxalate (1:1)
- IUPAC
- dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium;2-hydroxy-2-oxoacetate
Names & synonyms
3209-86-7alpha-(1-Naphthylmethyl)tetrahydro-2-furanpropionic acid 2-(dimethylamino)ethyl ester oxalate2-Furanpropionic acid, tetrahydro-alpha-(1-naphthylmethyl)-, 2-(dimethylamino)ethyl ester, oxalate (1:1)RefChem:261330N,N-Dimethyl-2-((3-(naphthalen-1-yl)-2-((tetrahydrofuran-2-yl)methyl)propanoyl)oxy)ethanaminium carboxyformatealpha-(1-Naphthylmethyl)tetrahydro-2-furanpropionic acid 2-(dimethylam ino)ethyl ester oxalate
Database identifiers
- CAS
3209-86-7- PubChem CID
- 18560
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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