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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H36N8O17P4S4
Molecular Weight 972.752
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TILSOTOLIMOD LINKER

SMILES

NC1=NC2=C(C=CN2[C@H]3C[C@H](OP(O)(=S)OCC(O)COP(O)(=S)O[C@H]4C[C@@H](O[C@@H]4COP(O)(O)=S)N5C=CC6=C5N=C(N)NC6=O)[C@@H](COP(O)(O)=S)O3)C(=O)N1

InChI

InChIKey=PHHFIXNRUATXRW-QNGVVQHRSA-N
InChI=1S/C25H36N8O17P4S4/c26-24-28-20-12(22(35)30-24)1-3-32(20)18-5-14(16(47-18)9-43-51(37,38)55)49-53(41,57)45-7-11(34)8-46-54(42,58)50-15-6-19(48-17(15)10-44-52(39,40)56)33-4-2-13-21(33)29-25(27)31-23(13)36/h1-4,11,14-19,34H,5-10H2,(H,41,57)(H,42,58)(H2,37,38,55)(H2,39,40,56)(H3,26,28,30,35)(H3,27,29,31,36)/t11?,14-,15-,16+,17+,18+,19+,53?,54?/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H36N8O17P4S4
Molecular Weight 972.752
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:54:39 GMT 2023
Edited
by admin
on Sat Dec 16 13:54:39 GMT 2023
Record UNII
RP14X866FH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TILSOTOLIMOD LINKER
Common Name English
2-AMINO-7-((2R,4S,5R)-4-((3-(((2R,3S,5R)-5-(2-AMINO-4-OXO-3H-PYRROLO(2,3-D)PYRIMIDIN-7-YL)-2-(HYDROXYMETHYL)TETRAHYDROFURAN-3-YL)OXY-HYDROXY-PHOSPHINOTHIOYL)OXY-2-HYDROXY-PROPOXY)-HYDROXY-PHOSPHINOTHIOYL)OXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL)-3H-PYRR
Systematic Name English
Code System Code Type Description
FDA UNII
RP14X866FH
Created by admin on Sat Dec 16 13:54:39 GMT 2023 , Edited by admin on Sat Dec 16 13:54:39 GMT 2023
PRIMARY
PUBCHEM
165411936
Created by admin on Sat Dec 16 13:54:39 GMT 2023 , Edited by admin on Sat Dec 16 13:54:39 GMT 2023
PRIMARY