| Properties | Image |
|---|
| MNX_ID | MNXM166899 |
 |
| reference | sabiorkM:27756 |
| formula | C10H15N5O9P2S |
| global charge | 0 |
| mol weight | 443.271 |
| InChIKey | LPUNOWSWFBIBQH-JVXRWYCYSA-N |
| InChI | InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-26(21,27)24-25(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,27)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-,26?/m1/s1 |
| SMILES | NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=S)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2=NC=N1 |
MNX internals
| InChI (mnx) | InChI=1/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-26(21,27)24-25(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,27)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-,26?/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:4]1[C@@H:6]([OH:16])[C@@H:7]([OH:17])[C@H:10]([N:15]2[CH:3]=[N:14][C:5]3=[C:8]([NH2:11])[N:12]=[CH:2][N:13]=[C:9]32)[O:23]1)[O:22][P:26]([OH:21])([O:24][P:25]([OH:18])([OH:19])=[O:20])=[S:27] |
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