PH4
Summary
| Name: | 3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate |
| Formula: | C5 H13 N O10 P2 |
| Formal charge: | 0 |
| Formula weight: | 309.105 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | 3-(hydroxy-(2-phosphonooxyethanoyl)amino)propyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(OCCCN(O)C(=O)COP(=O)(O)O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | ON(CCCO[P](O)(O)=O)C(=O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | ON(CCCO[P](O)(O)=O)C(=O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H13NO10P2/c7-5(4-16-18(12,13)14)6(8)2-1-3-15-17(9,10)11/h8H,1-4H2,(H2,9,10,11)(H2,12,13,14) |
| InChIKey | InChI | 1.03 | IISKWLQYGVRJHI-UHFFFAOYSA-N |
