Q08
Summary
| Name: | [(1R)-1-amino-2-propylpentyl]phosphonic acid |
| Formula: | C8 H20 N O3 P |
| Formal charge: | 0 |
| Formula weight: | 209.223 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R)-1-amino-2-propylpentyl]phosphonic acid |
| OpenEye OEToolkits | 1.9.2 | [(1R)-1-azanyl-2-propyl-pentyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(N)C(CCC)CCC |
| InChI | InChI | 1.03 | InChI=1S/C8H20NO3P/c1-3-5-7(6-4-2)8(9)13(10,11)12/h7-8H,3-6,9H2,1-2H3,(H2,10,11,12)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | PERCJHHIZBJKQX-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(CCC)[C@H](N)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CCCC(CCC)[CH](N)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCC(CCC)[C@H](N)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCC(CCC)C(N)P(=O)(O)O |
