Basic information
- CAS
30905-63-6- Standard SMILES
NC(=O)NC(CC(=O)[O-])C(=O)[O-].[Ca+2]- InChIKey
KGWAITXYALRFDQ-UHFFFAOYSA-L- Molecular formula
- C5H6CaN2O5
- Average molar mass
- 214.19 g/mol
- Monoisotopic mass
- 213.9902621
Names & identifiers
- Preferred name
- Calcium N-carbamoylaspartate, DL-
- IUPAC
- calcium 2-(carbamoylamino)butanedioate
Names & synonyms
F9OP81SI6QASPARTIC ACID, N-CARBAMOYL-, CALCIUM SALT (1:1), DL-CALCIUM N-CARBAMOYLASPARTATE, DL-RefChem:108069630905-63-6Calcium N-carbamoyl-DL-aspartatecalcium;2-(carbamoylamino)butanedioatePacilanDL-N-Carbamoylaspartic acid calcium saltCalcium DL-N-carbamoylaspartateCalcium N-carbamoyoaspartate DL-formEINECS 250-383-5
Show more names
UNII-F9OP81SI6Qcalcium 2-(carbamoylamino)butanedioateDL-calcium N-carbamoylaspartateSCHEMBL1435502DTXSID30953075KGWAITXYALRFDQ-UHFFFAOYSA-LCALCIUM N-CARBAMOYLASPARTATE DL-FORM [MI]Q27277862
Database identifiers
- CAS
30905-63-6- PubChem CID
- 35676
- DTXSID
DTXSID30953075- UNII
- F9OP81SI6Q
- EC Number
- 250-383-5
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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