(2S)-2-Amino-3-phosphonopropanoic acid
Basic information
- CAS
128241-72-5- Standard SMILES
N[C@H](CP(=O)(O)O)C(=O)O- InChIKey
LBTABPSJONFLPO-UWTATZPHSA-N- Molecular formula
- C3H8NO5P
- Average molar mass
- 169.07 g/mol
- Monoisotopic mass
- 169.01400899
Names & identifiers
- Preferred name
- (2S)-2-Amino-3-phosphonopropanoic acid
- IUPAC
- (2S)-2-amino-3-phosphonopropanoic acid
Names & synonyms
3-Phosphono-D-alanine128241-72-5D-AP3D-Alanine, 3-phosphono-(2S)-2-amino-3-phosphonopropanoic acid(S)-2-Amino-3-phosphonopropanoic acidZL1D9LZ2KDd-2-amino-3-phosphonopropionic acidD-(-)-2-Amino-3-phosphonopropionic acid2-Amino-3-phosphonopropionic acid, (S)-DTXSID40926098RefChem:398316
Show more names
DTXCID201476292631-392-7UNII-ZL1D9LZ2KDPropanoic acid, 2-amino-3-phosphono-Tocris-0125Lopac-A-4910SCHEMBL8967238CHEMBL1231023
Database identifiers
- CAS
128241-72-5- PubChem CID
- 446873
- DTXSID
DTXSID40926098- ChEMBL
CHEMBL1231023- UNII
- ZL1D9LZ2KD
- EC Number
- 631-392-7
- Nikkaji
- J397.495B
Properties
Computed structural properties
- XLogP
- -5.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 174
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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