| Properties | Image |
|---|
| MNX_ID | MNXM166698 |
 |
| reference | sabiorkM:23794 |
| formula | C10H15BrN5O13P3 |
| global charge | 0 |
| mol weight | 586.078 |
| InChIKey | MLZIRTYVMLUIKK-UAKXSSHOSA-N |
| InChI | InChI=1S/C10H15BrN5O13P3/c11-9-14-3-1-13-10(12)15-7(3)16(9)8-6(18)5(17)4(27-8)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h1,4-6,8,17-18H,2H2,(H,22,23)(H,24,25)(H2,12,13,15)(H2,19,20,21)/t4-,5-,6-,8-/m1/s1 |
| SMILES | N=C1N=C2C(=CN1)N=C(Br)N2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C10H15BrN5O13P3/c11-9-14-3-1-13-10(12)15-7(3)16(9)8-6(18)5(17)4(27-8)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h1,4-6,8,17-18H,2H2,(H,22,23)(H,24,25)(H2,12,13,15)(H2,19,20,21)/t4-,5-,6-,8-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[C:3]2[C:7](=[N:15][C:10](=[NH:12])[NH:13]1)[N:16]([C@H:8]1[C@H:6]([OH:18])[C@H:5]([OH:17])[C@@H:4]([CH2:2][O:26][P:31]([OH:22])(=[O:23])[O:29][P:32]([OH:24])(=[O:25])[O:28][P:30]([OH:19])([OH:20])=[O:21])[O:27]1)[C:9]([Br:11])=[N:14]2 |
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