Chemical Component Summary

Name5'-O-[(2-hydroxybenzoyl)sulfamoyl]adenosine
Identifiers[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(2-hydroxyphenyl)carbonylsulfamate
FormulaC17 H18 N6 O8 S
Molecular Weight466.425
TypeNON-POLYMER
Isomeric SMILESc1ccc(c(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O
InChIInChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1
InChIKeySABYITLYKSVAAD-CNEMSGBDSA-N

Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count4
Bond Count53
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 636430
ChEMBL CHEMBL371502