FAD

C27H33N9O15P2CAS 146-14-5785.56 g/mol

Open in Covalent MOL file
NOHNONNOHOHHOOPOOHOPOHOOONNH2NNNOHOH
AlcoholEtherPhenolPhosphatePrimary amine

Properties

Molecular formula
C27H33N9O15P2
Molar mass
785.56 g/mol
Exact mass
785.1571 Da
logP
-2.01Crippen estimate
Polar surface area
363.2 Ų
H-bond donors / acceptors
9 / 20
Rotatable bonds
13
Stereocentres
S, S, R, R, R, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
146-14-5
SMILES
Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C
InChIKey
VWWQXMAJTJZDQX-UYBVJOGSSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

20 names · show all
  • 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
  • Riboflavin 5′-adenosine diphosphate
  • Adenine-flavine dinucleotide
  • Flavine-adenine dinucleotide
  • Riboflavine-adenine dinucleotide
  • Flavine adenosine diphosphate
  • Adenine-flavin dinucleotide
  • Flavin-adenine dinucleotide
  • Riboflavin-adenine dinucleotide
  • Adenine-riboflavin dinucleotide
  • Flavinat
  • Flavitan
  • Fademin
  • NSC 112207
  • Flavin adenin dinucleotide
  • Flavin adenine dinucleotide

Work with FAD

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Flavin adenine dinucleotide sodium salt84366-81-4Salt

Similar compounds

5′-ATP56-65-556 % similar Riboflavin sodium phosphate130-40-556 % similar Adenosine diphosphate58-64-055 % similar Riboflavin83-88-551 % similar Inosine 5′-diphosphate disodium salt54735-61-448 % similar Cyclic adenosine monophosphate60-92-447 % similar Vidarabine phosphate29984-33-647 % similar Adenosine monophosphate61-19-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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