| Properties | Image |
|---|
| MNX_ID | MNXM166887 |
 |
| reference | sabiorkM:20017 |
| formula | C14H18N7O6P |
| global charge | 0 |
| mol weight | 411.315 |
| InChIKey | TWGWTXWTQPVUNN-IDTAVKCVSA-N |
| InChI | InChI=1S/C14H18N7O6P/c1-7-16-2-3-21(7)28(24,25)26-4-8-10(22)11(23)14(27-8)20-6-19-9-12(15)17-5-18-13(9)20/h2-3,5-6,8,10-11,14,22-23H,4H2,1H3,(H,24,25)(H2,15,17,18)/t8-,10-,11-,14-/m1/s1 |
| SMILES | CC1=NC=CN1P(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C14H18N7O6P/c1-7-16-2-3-21(7)28(24,25)26-4-8-10(22)11(23)14(27-8)20-6-19-9-12(15)17-5-18-13(9)20/h2-3,5-6,8,10-11,14,22-23H,4H2,1H3,(H,24,25)(H2,15,17,18)/t8-,10-,11-,14-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:7]1=[N:16][CH:2]=[CH:3][N:21]1[P:28]([OH:24])(=[O:25])[O:26][CH2:4][C@@H:8]1[C@@H:10]([OH:22])[C@@H:11]([OH:23])[C@H:14]([N:20]2[CH:6]=[N:19][C:9]3=[C:12]([NH2:15])[N:17]=[CH:5][N:18]=[C:13]32)[O:27]1 |
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