Compound M7G
Identifiers
- Canonical SMILES:
C[n+]1cn([C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13
- IUPAC name:
7-methylguanosine 5'-(trihydrogen diphosphate)
- InChi:
InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1
- InChiKey:
SBASPRRECYVBRF-KQYNXXCUSA-O
- SMARTS:
[#6]-[#7+]1:[#6]:[#7](-[#6@@H]2-[#8]-[#6@H](-[#6]-[#8]-[#15](-[#8])(=[#8])-[#8]-[#15](-[#8])(-[#8])=[#8])-[#6@@H](-[#8])-[#6@H]-2-[#8]):[#6]2:[#7]:[#6](-[#7]):[#7]:[#6](=[#8]):[#6]:1:2
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
135460973
M7G
DB01960
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 9ww7 | Sept. 22, 2025 | No publication |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 458.05 g/mol | |||
| HBA | 10 | |||
| HBD | 7 | |||
| HBA + HBD | ||||
| AlogP | -3.02 | |||
| TPSA | 243.56 | |||
| RB | 6 |