| PDB CCD ID: | A1IC1 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C11 H17 N2 O9 P |
| InChI: | InChI=1S/C11H17N2O9P/c1-12-7(14)3-4-13(11(12)16)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6,8-10,15H,5H2,1-2H3,(H2,17,18,19)/t6-,8-,9-,10-/m1/s1 |
| InChIKey: | DXHZPCMDHBXXMJ-PEBGCTIMSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=O)N(C)C2=O | | OpenEye OEToolkits 2.0.7 | CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)OC | | OpenEye OEToolkits 2.0.7 | CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC | | CACTVS 3.385 | CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)N(C)C2=O |
|
| Name: | [(2~{R},3~{R},4~{R},5~{R})-4-methoxy-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite |
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