SZH
Summary
| Name: | (2S,6E)-8-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2S)-3,3,3-trifluoro-2-hydrazinopropanoate |
| Formula: | C13 H25 F3 N2 O9 P2 |
| Formal charge: | 0 |
| Formula weight: | 472.288 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | [(E,2S)-8-[hydroxy(phosphonooxy)phosphoryl]oxy-2,6-dimethyl-oct-6-enyl] 3,3,3-trifluoro-2-hydrazinyl-propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@@H](CCCC(/C)=C/CO[P](O)(=O)O[P](O)(O)=O)COC(=O)[C@H](NN)C(F)(F)F |
| SMILES | CACTVS | 3.352 | C[CH](CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O)COC(=O)[CH](NN)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@@H](CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)COC(=O)C(C(F)(F)F)NN |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)COC(=O)C(C(F)(F)F)NN |
| InChI | InChI | 1.03 | InChI=1S/C13H25F3N2O9P2/c1-9(6-7-26-29(23,24)27-28(20,21)22)4-3-5-10(2)8-25-12(19)11(18-17)13(14,15)16/h6,10-11,18H,3-5,7-8,17H2,1-2H3,(H,23,24)(H2,20,21,22)/b9-6+/t10-,11?/m0/s1 |
| InChIKey | InChI | 1.03 | KFWDKULCUAWZLX-NPZMFMJXSA-N |
