| Properties | Image |
|---|
| MNX_ID | MNXM1369017 |
 |
| reference | seedM:cpd21090 |
| formula | C20H23N10O12P2S2 |
| global charge | -3 |
| mol weight | 721.544 |
| InChIKey | DADSOADRDIOHLI-URFSMQQBSA-K |
| InChI | InChI=1S/C20H26N10O12P2S2/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15/h3-7,10-11,13,18-19,26,31-32,46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33)/p-3/t5-,6-,7+,10-,11-,13?,18-,19-/m1/s1 |
| SMILES | NC1=NC(=O)C2=C(N1)N[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)C(=S)C([S-])[C@@H]1N2 |
MNX internals
| InChI (mnx) | InChI=1/C20H26N10O12P2S2/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15/h3-7,10-11,13,18-19,26,31-32,46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33)/t5-,6-,7+,10-,11-,13?,18-,19-/m1/s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:5]1[C@@H:10]([OH:31])[C@@H:11]([OH:32])[C@H:19]([N:30]2[CH:4]=[N:25][C:8]3=[C:14]([NH2:21])[N:23]=[CH:3][N:24]=[C:16]32)[O:41]1)[O:38][P:43]([OH:34])(=[O:35])[O:42][P:44]([OH:36])(=[O:37])[O:39][CH2:2][C@@H:6]1[C:12](=[S:45])[CH:13]([SH:46])[C@H:7]2[C@H:18]([NH:27][C:15]3=[C:9]([C:17]([OH:33])=[N:29][C:20](=[NH:22])[NH:28]3)[NH:26]2)[O:40]1 |
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