02F
Summary
Name: | [(1S)-1-amino-4-methoxybutyl]phosphonic acid |
Formula: | C5 H14 N O4 P |
Formal charge: | 0 |
Formula weight: | 183.143 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | [(1S)-1-amino-4-methoxybutyl]phosphonic acid |
OpenEye OEToolkits | 1.7.0 | [(1S)-1-azanyl-4-methoxy-butyl]phosphonic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)C(N)CCCOC |
SMILES_CANONICAL | CACTVS | 3.370 | COCCC[C@@H](N)[P](O)(O)=O |
SMILES | CACTVS | 3.370 | COCCC[CH](N)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COCCC[C@@H](N)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | COCCCC(N)P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C5H14NO4P/c1-10-4-2-3-5(6)11(7,8)9/h5H,2-4,6H2,1H3,(H2,7,8,9)/t5-/m0/s1 |
InChIKey | InChI | 1.03 | PXJTVTLKYWDWLN-YFKPBYRVSA-N |