Basic information
- CAS
3209-95-8- Standard SMILES
O=C(OCC[NH+]1CCCCC1)C(Cc1cccc2ccccc12)CC1CCCO1.O=C([O-])C(=O)O- InChIKey
QUJSVBSYVNCXBP-UHFFFAOYSA-N- Molecular formula
- C27H35NO7
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.24135246
Names & identifiers
- Preferred name
- 2-Furanpropionic acid, tetrahydro-alpha-(1-naphthylmethyl)-, 2-piperidinoethyl ester, oxalate (1:1)
- IUPAC
- 2-hydroxy-2-oxoacetate;2-piperidin-1-ium-1-ylethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
Names & synonyms
alpha-(1-Naphthylmethyl)tetrahydro-2-furanpropionic acid 2-piperidinoethyl ester oxalate3209-95-82-Furanpropionic acid, tetrahydro-alpha-(1-naphthylmethyl)-, 2-piperidinoethyl ester, oxalate (1:1)RefChem:261332alpha-(1-Naphthylmethyl)tetrahydro-2-furanpropionic acid 2-piperidinoe thyl ester oxalate
Database identifiers
- CAS
3209-95-8- PubChem CID
- 18562
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 582
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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