| Properties | Image |
|---|
| MNX_ID | MNXM152922 |
 |
| reference | chebi:76053 |
| formula | C19H24Br2N8O12P2 |
| global charge | 0 |
| mol weight | 778.201 |
| InChIKey | BWSJXFVAYYBEGM-WGWHJZDNSA-N |
| InChI | InChI=1S/C19H24Br2N8O12P2/c20-6-3-28(19(32)25-14(6)22)11-1-7(30)9(39-11)5-38-43(35,36)41-8-2-12(40-10(8)4-37-42(33)34)29-15-13(24-17(29)21)16(31)27-18(23)26-15/h3,7-12,30,33-34H,1-2,4-5H2,(H,35,36)(H2,22,25,32)(H3,23,26,27,31)/t7-,8-,9+,10+,11+,12+/m0/s1 |
| SMILES | NC1=NC2=C(N=C(Br)N2[C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](N4C=C(Br)C(N)=NC4=O)C[C@@H]3O)[C@@H](COP(O)O)O2)C(=O)N1 |
MNX internals
| InChI (mnx) | InChI=1/C19H24Br2N8O12P2/c20-6-3-28(19(32)25-14(6)22)11-1-7(30)9(39-11)5-38-43(35,36)41-8-2-12(40-10(8)4-37-42(33)34)29-15-13(24-17(29)21)16(31)27-18(23)26-15/h3,7-12,30,33-34H,1-2,4-5H2,(H,35,36)(H2,22,25,32)(H3,23,26,27,31)/t7-,8-,9+,10+,11+,12+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[C@H:7]([OH:30])[C@@H:9]([CH2:5][O:38][P:43]([OH:35])(=[O:36])[O:41][C@H:8]2[CH2:2][C@H:12]([N:29]3[C:15]4=[C:13]([C:16]([OH:31])=[N:27][C:18](=[NH:23])[NH:26]4)[N:24]=[C:17]3[Br:21])[O:40][C@@H:10]2[CH2:4][O:37][P:42]([OH:33])[OH:34])[O:39][C@H:11]1[N:28]1[CH:3]=[C:6]([Br:20])[C:14](=[NH:22])[N:25]=[C:19]1[OH:32] |
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