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Basic information
- CAS
81979-41-1- Standard SMILES
CS(=O)CCC(N)P(=O)(O)O- InChIKey
AQFDPNHHOMGWFQ-UHFFFAOYSA-N- Molecular formula
- C4H12NO4PS
- Average molar mass
- 201.18 g/mol
- Monoisotopic mass
- 201.02246604
Names & identifiers
- Preferred name
- (1-Amino-3-methylsulfinylpropyl)phosphonic acid
- IUPAC
- (1-amino-3-methylsulfinylpropyl)phosphonic acid
Names & synonyms
NSC35909681979-41-1DTXSID70320424NSC-359096[1-Amino-3-(methanesulfinyl)propyl]phosphonic acid
Database identifiers
- CAS
81979-41-1- PubChem CID
- 338115
- DTXSID
DTXSID70320424
Properties
Computed structural propertiesFilling in
- XLogP
- -5.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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