Gemcitabine diphosphate

Properties Image MNX_ID MNXM156279 reference sabiorkM:23784 formula C9H13F2N3O10P2 global charge 0 mol weight 423.158 InChIKey FRQISCZGNNXEMD-QPPQHZFASA-N InChI InChI=1S/C9H13F2N3O10P2/c10-9(11)6(15)4(3-22-26(20,21)24-25(17,18)19)23-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H,20,21)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1 SMILES N=C1C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)C(O)=N1 MNX internals InChI (mnx) InChI=1/C9H13F2N3O10P2/c10-9(11)6(15)4(3-22-26(20,21)24-25(17,18)19)23-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H,20,21)(H2,12,13,16)(H2,17,18,19)/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:15])[C@@H:4]([CH2:3][O:22][P:26]([OH:20])(=[O:21])[O:24][P:25]([OH:17])([OH:18])=[O:19])[O:23]2)[C:8]([OH:16])=[N:13][C:5]1=[NH:12]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0