B3P
Summary
| Name: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL |
| Formula: | C11 H26 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 282.334 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,2'-(propane-1,3-diyldiimino)bis[2-(hydroxymethyl)propane-1,3-diol] |
| OpenEye OEToolkits | 1.5.0 | 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC(NCCCNC(CO)(CO)CO)(CO)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCC(CO)(CO)NCCCNC(CO)(CO)CO |
| SMILES | CACTVS | 3.341 | OCC(CO)(CO)NCCCNC(CO)(CO)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CNC(CO)(CO)CO)CNC(CO)(CO)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CNC(CO)(CO)CO)CNC(CO)(CO)CO |
| InChI | InChI | 1.03 | InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2 |
| InChIKey | InChI | 1.03 | HHKZCCWKTZRCCL-UHFFFAOYSA-N |
