FAD

CAS Registry Number®

146-14-5
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CAS Name

FAD

Molecular Formula

C27H33N9O15P2

Molecular Mass

785.55

Cite this Page

FAD.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=146-14-5 (retrieved 2024-05-18) (CAS RN: 146-14-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

InChIKey

InChIKey=VWWQXMAJTJZDQX-UYBVJOGSSA-N

SMILES

C([C@@H]([C@@H]([C@@H](COP(OP(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=3C(N=C2)=C(N)N=CN3)(=O)O)(=O)O)O)O)O)N4C=5C(=NC=6C4=CC(C)=C(C)C6)C(=O)NC(=O)N5

Canonical SMILES

O=C1N=C2C(=NC=3C=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), P′→5′-ester with adenosine
  • Adenosine 5′-(trihydrogen pyrophosphate), 5′→5′-ester with riboflavine
  • Riboflavine, 5′-ester with adenosine 5′-diphosphate
  • Benzo[g]pteridine, riboflavin 5′-(trihydrogen diphosphate) deriv.
  • Adenine-riboflavine dinucleotide

Deleted or Replaced CAS Registry Numbers

16426-55-4, 887565-61-9

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