[4-[2-[6-(2,2-dimethylpropanoyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]phenyl] 2,2-dimethylpropanoate

Systemtic Name: [4-[2-[6-(2,2-dimethylpropanoyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]phenyl] 2,2-dimethylpropanoate Openeye Name: [4-[2-[6-(2,2-dimethylpropanoyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[2-[6-(2,2-dimethyl-1-oxopropyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]phenyl] ester IUPAC Name: [4-[2-[6-(2,2-dimethylpropanoyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[2-[6-pivaloyl-5-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-1H-pyrazolo[3,4-b]pyridin-4-yl]ethyl]phenyl] ester Formula: C30H39N3O9 MolecularWeight: 585.64536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=C(C(=C2C=NNC2=N1)CCC3=CC=C(C=C3)OC(=O)C(C)(C)C)OC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

CC(C)(C)C(=O)C1=C(C(=C2C=NNC2=N1)CCC3=CC=C(C=C3)OC(=O)C(C)(C)C)OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C30H39N3O9/c1-29(2,3)25(38)20-24(42-27-23(37)22(36)21(35)19(14-34)41-27)17(18-13-31-33-26(18)32-20)12-9-15-7-10-16(11-8-15)40-28(39)30(4,5)6/h7-8,10-11,13,19,21-23,27,34-37H,9,12,14H2,1-6H3,(H,31,32,33)