Products 79940-41-3

CAS 79940-41-3 is the registry number for C-di-IMP. Offered by: TargetMol, MedChemExpress. Available pack sizes: 25mg, 50mg, 100mg, Get quote.

C-di-IMP
TargetMol, MedChemExpress
  • size: 25mg, 50mg, 100mg, Get quote
  • Variants: 4
from 17360.18
View product
Structural formula: {0} (CAS {1})

9-[(1S,6R,8R,9R,10S,15R,17R,18R)-3,9,12,18-tetrahydroxy-3,12-dioxo-17-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one (CAS 79940-41-3) is a chemical compound with the molecular formula C20H22N8O14P2 and a molecular weight of 660.4 g/mol. IUPAC name: 9-[(1S,6R,8R,9R,10S,15R,17R,18R)-3,9,12,18-tetrahydroxy-3,12-dioxo-17-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one. InChIKey: VFTRASQVWRBMKD-XPWFQUROSA-N.

Identity
Molecular formulaC20H22N8O14P2
Molecular weight660.4 g/mol
IUPAC name9-[(1S,6R,8R,9R,10S,15R,17R,18R)-3,9,12,18-tetrahydroxy-3,12-dioxo-17-(6-oxo-1H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
InChIKeyVFTRASQVWRBMKD-XPWFQUROSA-N
SMILESC1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CNC4=O)O)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C6N=CNC7=O)O)OP(=O)(O1)O)O

Computed by PubChem (NCBI)

Synonyms: C-di-IMP, 3',3'-Cdimp, Cyclic di-IMP (sodium salt), orb1744229