Basic information
- CAS
90203-56-8- Standard SMILES
CC(N)(CO)CO.NC(CC(=O)O)C(=O)O- InChIKey
WSJAXVAXSMDNMX-UHFFFAOYSA-N- Molecular formula
- C8H18N2O6
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.1164863
Names & identifiers
- Preferred name
- Aspartic acid, compd. with 2-amino-2-methyl-1,3-propanediol
- IUPAC
- 2-aminobutanedioic acid;2-amino-2-methylpropane-1,3-diol
Names & synonyms
90203-56-8RefChem:10773032-Amino-2-methylpropane-1,3-diol aspartateDTXSID401009249Aspartic acid--2-amino-2-methylpropane-1,3-diol (1/1)
Database identifiers
- CAS
90203-56-8- PubChem CID
- 56047
- DTXSID
DTXSID401009249
Properties
Computed structural properties
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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