Basic information
- Standard SMILES
CN(C)CCC(O)(C(=O)O)P(=O)(O)O- InChIKey
OFGRTLYCMOZRDQ-UHFFFAOYSA-N- Molecular formula
- C6H14NO6P
- Average molar mass
- 227.15 g/mol
Names & identifiers
- Preferred name
- 4-(N,N-dimethylamino)-2-hydroxy-2-phosphonobutanoic acid
- IUPAC
- 4-(dimethylamino)-2-hydroxy-2-phosphonobutanoic acid
Names & synonyms
SCHEMBL7852941OFGRTLYCMOZRDQ-UHFFFAOYSA-N4-(N,N-dimethylamino)-2-hydroxy-2-phosphonobutanoic acid
Database identifiers
- PubChem CID
- 19084804
Properties
Computed structural properties
- XLogP
- -4.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Related reactions
4 records
Compound notes
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