427
Summary
| Name: | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENYL)GUANIDINE |
| Formula: | C10 H14 B N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 235.047 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}guanidine |
| OpenEye OEToolkits | 1.5.0 | 1-[4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC1OB(OC1)c2ccc(NC(=[N@H])N)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)Nc1ccc(cc1)B2OC[C@@H](CO)O2 |
| SMILES | CACTVS | 3.341 | NC(=N)Nc1ccc(cc1)B2OC[CH](CO)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\N)/Nc1ccc(cc1)B2OC[C@H](O2)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)Nc1ccc(cc1)B2OCC(O2)CO |
| InChI | InChI | 1.03 | InChI=1S/C10H14BN3O3/c12-10(13)14-8-3-1-7(2-4-8)11-16-6-9(5-15)17-11/h1-4,9,15H,5-6H2,(H4,12,13,14)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | PTRUIYBNRUNGLM-SECBINFHSA-N |
