| Properties | Image |
|---|
| MNX_ID | MNXM164186 |
 |
| reference | sabiorkM:20796 |
| formula | C21H30N7NaO17P3 |
| global charge | 0 |
| mol weight | 768.415 |
| InChIKey | WVIHKRDKCOXNAG-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H30N7O17P3.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35); |
| SMILES | N=C(O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[Na] |
MNX internals
| InChI (mnx) | InChI=1/C21H30N7O17P3.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35);/t10?,11?,13?,14?,15?,16?,20?,21?; |
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| SMILES (mnx) | [CH:1]1=[CH:3][N:27]([CH:20]2[CH:15]([OH:31])[CH:13]([OH:29])[CH:10]([CH2:5][O:40][P:47]([OH:36])(=[O:37])[O:45][P:48]([OH:38])(=[O:39])[O:41][CH2:6][CH:11]3[CH:14]([OH:30])[CH:16]([O:44][P:46]([OH:33])([OH:34])=[O:35])[CH:21]([N:28]4[CH:8]=[N:26][C:12]5=[C:17]([NH2:22])[N:24]=[CH:7][N:25]=[C:19]54)[O:43]3)[O:42]2)[CH:4]=[C:9]([C:18](=[NH:23])[OH:32])[CH2:2]1.[Na:49] |
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