A1H4C

3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(3-hydroxyphenyl)benzoic acid


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Chemical Component Summary

Name3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(3-hydroxyphenyl)benzoic acid
Synonyms5-(((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)methyl)-3'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid
Identifiers3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(3-hydroxyphenyl)benzoic acid
FormulaC24 H23 N5 O6 S
Molecular Weight509.534
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)O)c2cc(cc(c2)C(=O)O)CSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O
InChIInChI=1S/C24H23N5O6S/c25-21-18-22(27-10-26-21)29(11-28-18)23-20(32)19(31)17(35-23)9-36-8-12-4-14(6-15(5-12)24(33)34)13-2-1-3-16(30)7-13/h1-7,10-11,17,19-20,23,30-32H,8-9H2,(H,33,34)(H2,25,26,27)/t17-,19-,20-,23-/m1/s1
InChIKeyAZOYKQRHBFYEDX-ZDXOVATRSA-N

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count4
Bond Count63
Aromatic Bond Count22

Related Resource References

Resource NameReference
PubChem 170513402