NF2
Summary
| Name: | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-5-METHYLPHENYL)-5-O-PHOSPHONO-D-RIBITOL |
| Formula: | C12 H15 F2 O7 P |
| Formal charge: | 0 |
| Formula weight: | 340.214 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S)-1,4-anhydro-1-(2,4-difluoro-5-methylphenyl)-5-O-phosphono-D-ribitol |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5S)-5-(2,4-difluoro-5-methyl-phenyl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OCC2OC(c1cc(c(F)cc1F)C)C(O)C2O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c(F)cc1F |
| SMILES | CACTVS | 3.341 | Cc1cc([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c(F)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(c(cc1F)F)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(c(cc1F)F)C2C(C(C(O2)COP(=O)(O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H15F2O7P/c1-5-2-6(8(14)3-7(5)13)12-11(16)10(15)9(21-12)4-20-22(17,18)19/h2-3,9-12,15-16H,4H2,1H3,(H2,17,18,19)/t9-,10-,11-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | DMROPYMHNVLDPZ-KKOKHZNYSA-N |
