A1INC
Summary
| Name: | [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-nonanoyloxy-propan-2-yl] (~{E})-octadec-9-enoate |
| Formula: | C32 H62 N O8 P |
| Formal charge: | 0 |
| Formula weight: | 619.81 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-nonanoyloxy-propan-2-yl] (~{E})-octadec-9-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C32H62NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-32(35)41-30(29-40-42(36,37)39-27-26-33)28-38-31(34)24-22-20-10-8-6-4-2/h14-15,30H,3-13,16-29,33H2,1-2H3,(H,36,37)/b15-14+/t30-/m1/s1 |
| InChIKey | InChI | 1.06 | XVECMFHEJYRVGN-AJJDXVGUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC)CO[P](O)(=O)OCCN |
| SMILES | CACTVS | 3.385 | CCCCCCCCC=CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC)CO[P](O)(=O)OCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC)COP(=O)(O)OCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC)COP(=O)(O)OCCN |
