| Properties | Image |
|---|
| MNX_ID | MNXM54816 |
 |
| reference | chebi:51987 |
| formula | C10H14AlF4N5O11P2 |
| global charge | -1 |
| mol weight | 545.168 |
| InChIKey | BPSATOSZPFOBQA-LTPGDGGNSA-I |
| InChI | InChI=1S/C10H15N5O11P2.Al.4FH/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21;;;;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18);;4*1H/q;+4;;;;/p-5/t3-,5-,6-,9-;;;;;/m1...../s1 |
| SMILES | F.F.F.N=C1N=C([O-])C2=C(N1)N([C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)C=N2.[Al+4].[F-] |
MNX internals
| InChI (mnx) | InChI=1/C10H15N5O11P2.Al.4FH/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21;;;;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18);;4*1H/q;+4;;;;/t3-,5-,6-,9-;;;;;/m1...../s1 |
 |
| SMILES (mnx) | [Al+4:29].[CH2:1]([C@@H:3]1[C@@H:5]([OH:16])[C@@H:6]([OH:17])[C@H:9]([N:15]2[CH:2]=[N:12][C:4]3=[C:7]2[NH:13][C:10](=[NH:11])[N:14]=[C:8]3[OH:18])[O:25]1)[O:24][P:28]([OH:22])(=[O:23])[O:26][P:27]([OH:19])([OH:20])=[O:21].[FH:30].[FH:31].[FH:32].[FH:33] |
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