G88
Summary
| Name: | (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID |
| Formula: | C6 H11 O7 P |
| Formal charge: | 0 |
| Formula weight: | 226.121 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-(phosphonomethyl)pentanedioic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-(phosphonomethyl)pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)CC(C(=O)O)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC[C@H](C[P](O)(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)CC[CH](C[P](O)(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CC(=O)O)[C@H](CP(=O)(O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(=O)O)C(CP(=O)(O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | ISEYJGQFXSTPMQ-SCSAIBSYSA-N |
