J89
Summary
| Name: | (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol |
| Formula: | C19 H34 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 387.451 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S})-2-azanyl-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | LRFKWQGGENFBFO-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCc1ccc(CC[C@](N)(CO)CO[P](O)(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | CCCCCCCCc1ccc(CC[C](N)(CO)CO[P](O)(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCc1ccc(cc1)CC[C@](CO)(COP(=O)(O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCc1ccc(cc1)CCC(CO)(COP(=O)(O)O)N |
