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Substance Name: 6-Hydroxy-fad
RN: 52301-43-6
InChIKey: BJSUUWFQAMLNKU-YBWNCORNSA-N

Molecular Weight

  • 801.553
 
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Names and Synonyms

Name of Substance

  • 6-Hydroxy-fad

Synonym

  • 6-OH-Fad

Systematic Name

  • Riboflavin 5'-(trihydrogen diphosphate), 6-hydroxy-, 5'-5' ester with adenosine

Registry Numbers

CAS Registry Number

  • 52301-43-6

System Generated Number

  • 0052301436

Structure Descriptors

InChI

1S/C27H33N9O16P2/c1-9-3-11-15(18(39)10(9)2)32-17-24(33-27(44)34-25(17)43)35(11)4-12(37)19(40)13(38)5-49-53(45,46)52-54(47,48)50-6-14-20(41)21(42)26(51-14)36-8-31-16-22(28)29-7-30-23(16)36/h3,7-8,12-14,19-21,26,37-42H,4-6H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,34,43,44)/t12-,13+,14-,19-,20-,21-,26-/m1/s1

InChIKey

BJSUUWFQAMLNKU-YBWNCORNSA-N

Smiles

O(C[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1c2ncnc(c2nc1)N)[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]([C@@H]([C@@H](Cn1c2c(nc3c1cc(C)c(c3O)C)c([nH]c(n2)=O)=O)O)O)O