| Properties | Image |
|---|
| MNX_ID | MNXM166697 |
 |
| reference | sabiorkM:23804 |
| formula | C10H14BrN5O10P2 |
| global charge | 0 |
| mol weight | 506.099 |
| InChIKey | KVVVTFSHHQCHNZ-UUOKFMHZSA-N |
| InChI | InChI=1S/C10H14BrN5O10P2/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1 |
| SMILES | NC1=C2N=C(Br)N([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=NC=N1 |
MNX internals
| InChI (mnx) | InChI=1/C10H14BrN5O10P2/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:3]1[C@@H:5]([OH:17])[C@@H:6]([OH:18])[C@H:9]([N:16]2[C:8]3=[N:14][CH:2]=[N:13][C:7]([NH2:12])=[C:4]3[N:15]=[C:10]2[Br:11])[O:25]1)[O:24][P:28]([OH:22])(=[O:23])[O:26][P:27]([OH:19])([OH:20])=[O:21] |
|