| Properties | Image |
|---|
| MNX_ID | MNXM728473 |
 |
| reference | sabiorkM:21363 |
| formula | C22H29N6O14P2 |
| global charge | 1 |
| mol weight | 663.45 |
| InChIKey | KPVQNXLUPNWQHM-UHFFFAOYSA-O |
| InChI | InChI=1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/p+1 |
| SMILES | CC(=O)C1=C[N+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5=C(N)N=CN=C54)C(O)C3O)C(O)C2O)=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/t12?,13?,15?,16?,17?,18?,21?,22? |
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| SMILES (mnx) | [CH3:1][C:10]([C:11]1=[CH:5][N+:27]([CH:21]2[CH:17]([OH:32])[CH:15]([OH:30])[CH:12]([CH2:6][O:38][P:43](=[O:34])([OH:35])[O:42][P:44](=[O:36])([O-:37])[O:39][CH2:7][CH:13]3[CH:16]([OH:31])[CH:18]([OH:33])[CH:22]([N:28]4[CH:9]=[N:26][C:14]5=[C:19]([NH2:23])[N:24]=[CH:8][N:25]=[C:20]54)[O:41]3)[O:40]2)=[CH:4][CH:2]=[CH:3]1)=[O:29] |
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