A0V
Summary
| Name: | 1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid |
| Formula: | C4 H7 B N3 O7 P |
| Formal charge: | 0 |
| Formula weight: | 250.899 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 1-[[oxidanyl(phosphonooxy)boranyl]methyl]-1,2,3-triazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(B(OP(O)(O)=O)O)n1nnc(c1)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C4H7BN3O7P/c9-4(10)3-1-8(7-6-3)2-5(11)15-16(12,13)14/h1,11H,2H2,(H,9,10)(H2,12,13,14) |
| InChIKey | InChI | 1.03 | AEBNZGMSDDIREX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(Cn1cc(nn1)C(O)=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | OB(Cn1cc(nn1)C(O)=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(Cn1cc(nn1)C(=O)O)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(Cn1cc(nn1)C(=O)O)(O)OP(=O)(O)O |
