Riboflavin 5′-(trihydrogen diphosphate), 6-hydroxy-, P′→5′ ester with adenosine

CAS Registry Number®

52301-43-6

CAS Name

Riboflavin 5′-(trihydrogen diphosphate), 6-hydroxy-, P′→5′ ester with adenosine

Molecular Formula

C27H33N9O16P2

Molecular Mass

801.55

Cite this Page

Riboflavin 5′-(trihydrogen diphosphate), 6-hydroxy-, P′→5′ ester with adenosine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52301-43-6 (retrieved 2024-11-24) (CAS RN: 52301-43-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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)

InChIKey

InChIKey=BJSUUWFQAMLNKU-UHFFFAOYSA-N

SMILES

C(C(C(C(COP(OP(OCC1OC(C(O)C1O)N2C=3C(N=C2)=C(N)N=CN3)(=O)O)(=O)O)O)O)O)N4C=5C(N=C6C4=NC(=O)NC6=O)=C(O)C(C)=C(C)C5

Canonical SMILES

O=C1N=C2C(=NC=3C(O)=C(C(=CC3N2CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC=6C(=NC=NC65)N)C(O)C4O)C)C)C(=O)N1

Other Names for this Substance

  • Riboflavin 5′-(trihydrogen diphosphate), 6-hydroxy-, P′→5′ ester with adenosine
  • Benzo[g]pteridine, riboflavin 5′-(trihydrogen diphosphate) deriv.
  • 6-Hydroxy-FAD

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