YT9
Summary
| Name: | 3-azanyl-3-(hydroxymethyl)-1,5,7,11-tetraoxa-6$l^{4}-boraspiro[5.5]undecan-9-ol |
| Formula: | C7 H15 B N O6 |
| Formal charge: | -1 |
| Formula weight: | 220.008 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2S)-2-amino-2-[(hydroxy-kappaO)methyl]propane-1,3-diolato(2-)-kappaO~1~][(2S)-propane-1,2,3-triolato(2-)-kappa~2~O~1~,O~3~]borate(1-) |
| OpenEye OEToolkits | 2.0.7 | 3-azanyl-3-(hydroxymethyl)-1,5,7,11-tetraoxa-6-boranuidaspiro[5.5]undecan-9-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC1(N)CO[B-]2(OCC(O)CO2)OC1 |
| InChI | InChI | 1.06 | InChI=1S/C7H15BNO6/c9-7(3-10)4-14-8(15-5-7)12-1-6(11)2-13-8/h6,10-11H,1-5,9H2/q-1/t6-,7-,8-/m0/s1 |
| InChIKey | InChI | 1.06 | NORKYMYNBIQBFM-FXQIFTODSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C]1(CO)CO[B-]2(OC[CH](O)CO2)OC1 |
| SMILES | CACTVS | 3.385 | N[C]1(CO)CO[B-]2(OC[CH](O)CO2)OC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B-]12(OCC(CO1)O)OCC(CO2)(CO)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | [B-]12(OCC(CO1)O)OCC(CO2)(CO)N |
