| Properties | Image |
|---|
| MNX_ID | MNXM168696 |
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| reference | sabiorkM:26791 |
| formula | C21H27N6O15P2 |
| global charge | 0 |
| mol weight | 665.422 |
| InChIKey | AHECLSKJTNKBNP-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H27N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H,32,33)(H,34,35)(H,36,37)(H2,22,23,24) |
| SMILES | NC1=C2N=CN(C3OC(COP(=O)(O)OP(=O)(O)OCC4OC(N5[CH]C=CC(C(=O)O)=C5)C(O)C4O)C(O)C3O)C2=NC=N1 |
MNX internals
| InChI (mnx) | InChI=1/C21H27N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H,32,33)(H,34,35)(H,36,37)(H2,22,23,24)/t10?,11?,13?,14?,15?,16?,19?,20? |
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| SMILES (mnx) | [CH:1]1=[CH:2][C:9]([C:21](=[O:32])[OH:33])=[CH:4][N:26]([CH:19]2[CH:15]([OH:30])[CH:13]([OH:28])[CH:10]([CH2:5][O:38][P:43]([OH:34])(=[O:35])[O:42][P:44]([OH:36])(=[O:37])[O:39][CH2:6][CH:11]3[CH:14]([OH:29])[CH:16]([OH:31])[CH:20]([N:27]4[CH:8]=[N:25][C:12]5=[C:17]([NH2:22])[N:23]=[CH:7][N:24]=[C:18]54)[O:41]3)[O:40]2)[CH:3]1 |
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