Basic information
- CAS
76338-95-9- Standard SMILES
O=C(O)CC(NC(=O)CP(=O)(O)O)C(=O)O- InChIKey
ZZKNRXZVGOYGJT-UHFFFAOYSA-N- Molecular formula
- C6H10NO8P
- Average molar mass
- 255.12 g/mol
- Monoisotopic mass
- 255.01440327
Overview
N-(Phosphonoacetyl)aspartic acid has been reported in Arabidopsis thaliana with data available.
Names & identifiers
- Preferred name
- N-(Phosphonoacetyl)aspartic acid
- IUPAC
- 2-[(2-phosphonoacetyl)amino]butanedioic acid
Names & synonyms
N-(Phosphonoacetyl)aspartic acidNSC63289876338-95-9NCI 224131NSC-2241312-[(2-phosphonoacetyl)amino]butanedioic acidCHEMBL37681SCHEMBL3514530EBC-08332NSC281263L-Aspartic acid, calcium salt (2:3)NSC-281263
Show more names
NSC-6328982-(2-phosphonoacetamido)butanedioic acidNCI60_0018492-(2-Phosphono-acetylamino)-succinic acidEN300-11815753BRD-A81539525-433-01-5
Database identifiers
- CAS
76338-95-9- PubChem CID
- 4312
- ChEMBL
CHEMBL37681
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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