| Properties | Image |
|---|
| MNX_ID | MNXM165564 |
 |
| reference | sabiorkM:24922 |
| formula | C9H15F2N3O11P2 |
| global charge | 0 |
| mol weight | 441.173 |
| InChIKey | COBKNZMWWQBDOQ-OSZBKLCCSA-N |
| InChI | InChI=1S/C9H11F2N3O4.H4O7P2/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;1-8(2,3)7-9(4,5)6/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);(H2,1,2,3)(H2,4,5,6)/t4-,6-,7-;/m1./s1 |
| SMILES | N=C1C=CN([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)C(O)=N1.O=P(O)(O)OP(=O)(O)O |
MNX internals
| InChI (mnx) | InChI=1/C9H11F2N3O4.H4O7P2/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;1-8(2,3)7-9(4,5)6/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);(H2,1,2,3)(H2,4,5,6)/t4-,6-,7-;/m1./s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][N:14]([C@H:7]2[C:9]([F:10])([F:11])[C@H:6]([OH:16])[C@@H:4]([CH2:3][OH:15])[O:18]2)[C:8]([OH:17])=[N:13][C:5]1=[NH:12].[OH:19][P:26]([OH:20])(=[O:21])[O:25][P:27]([OH:22])([OH:23])=[O:24] |
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