UFB
Summary
| Name: | 2'-F,4'-beta-OMe Uridine 5'-(dihydrogen phosphate) |
| Formula: | C10 H14 F N2 O9 P |
| Formal charge: | 0 |
| Formula weight: | 356.198 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2S,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-2-methoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
| OpenEye OEToolkits | 2.0.6 | [(2~{S},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(F)C(O)C(O1)(COP(O)(=O)O)OC)N2C(=O)NC(C=C2)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H14FN2O9P/c1-20-10(4-21-23(17,18)19)7(15)6(11)8(22-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t6-,7+,8-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | ZYOWQXVTIIKUDO-JIOCBJNQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@]1(CO[P](O)(O)=O)O[C@H]([C@H](F)[C@@H]1O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | CO[C]1(CO[P](O)(O)=O)O[CH]([CH](F)[CH]1O)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CO[C@@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC1(C(C(C(O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O |
