| Properties | Image |
|---|
| MNX_ID | MNXM167609 |
 |
| reference | sabiorkM:21234 |
| formula | C9H15N3O9P2 |
| global charge | 0 |
| mol weight | 371.179 |
| InChIKey | FVSQWXITYSICAK-POYBYMJQSA-N |
| InChI | InChI=1S/C9H15N3O9P2/c10-7-3-4-12(9(13)11-7)8-2-1-6(20-8)5-19-23(17,18)21-22(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1 |
| SMILES | N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C(O)=N1 |
MNX internals
| InChI (mnx) | InChI=1/C9H15N3O9P2/c10-7-3-4-12(9(13)11-7)8-2-1-6(20-8)5-19-23(17,18)21-22(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C@H:8]([N:12]2[CH:4]=[CH:3][C:7](=[NH:10])[N:11]=[C:9]2[OH:13])[O:20][C@@H:6]1[CH2:5][O:19][P:23]([OH:17])(=[O:18])[O:21][P:22]([OH:14])([OH:15])=[O:16] |
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