PVA
Summary
| Name: | 1-AMINO-2-METHYL-PROPYLPHOSPHONIC ACID |
| Formula: | C4 H12 N O3 P |
| Formal charge: | 0 |
| Formula weight: | 153.117 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(1R)-1-amino-2-methylpropyl]phosphonic acid |
| OpenEye OEToolkits | 1.5.0 | [(1R)-1-amino-2-methyl-propyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)C(N)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@H](N)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)[CH](N)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@H](N)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(N)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H12NO3P/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H2,6,7,8)/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | DGSLPJDIFKVSIB-SCSAIBSYSA-N |
