2'-chloro-2'-deoxyuridine-5'-diphosphate

Properties Image MNX_ID MNXM34197 reference metacycM:CPD0-1394 formula C9H10ClN2O11P2 global charge -3 mol weight 419.583 InChIKey WGHTVAKXVHPEEP-RNMRRNDGSA-K InChI InChI=1S/C9H13ClN2O11P2/c10-6-7(14)4(3-21-25(19,20)23-24(16,17)18)22-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,19,20)(H,11,13,15)(H2,16,17,18)/p-3/t4-,6?,7-,8-/m1/s1 SMILES O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)C2Cl)C(=O)N1 MNX internals InChI (mnx) InChI=1/C9H13ClN2O11P2/c10-6-7(14)4(3-21-25(19,20)23-24(16,17)18)22-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,19,20)(H,11,13,15)(H2,16,17,18)/t4-,6?,7-,8-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][N:12]([C@H:8]2[CH:6]([Cl:10])[C@H:7]([OH:14])[C@@H:4]([CH2:3][O:21][P:25]([OH:19])(=[O:20])[O:23][P:24]([OH:16])([OH:17])=[O:18])[O:22]2)[C:9](=[O:15])[N:11]=[C:5]1[OH:13]

Parent-child relations graph

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