HDB
Summary
| Name: | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)BENZYL)GUANIDINE |
| Formula: | C11 H16 B N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 249.074 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]benzyl}guanidine |
| OpenEye OEToolkits | 1.5.0 | 1-[[4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl]methyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC1OB(OC1)c2ccc(cc2)CNC(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)NCc1ccc(cc1)B2OC[C@@H](CO)O2 |
| SMILES | CACTVS | 3.341 | NC(=N)NCc1ccc(cc1)B2OC[CH](CO)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/N)\NCc1ccc(cc1)B2OC[C@H](O2)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)NCc1ccc(cc1)B2OCC(O2)CO |
| InChI | InChI | 1.03 | InChI=1S/C11H16BN3O3/c13-11(14)15-5-8-1-3-9(4-2-8)12-17-7-10(6-16)18-12/h1-4,10,16H,5-7H2,(H4,13,14,15)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | IIZOWFNBOXPJES-SNVBAGLBSA-N |
