Cas no 56541-70-9 (Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-iodo-1-β-D-ribofuranosylpyridinium, inner salt (9CI))

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-iodo-1-β-D-ribofuranosylpyridinium, inner salt (9CI) structure
56541-70-9 structure
Product Name:Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-iodo-1-β-D-ribofuranosylpyridinium, inner salt (9CI)
CAS No:56541-70-9
MF:C20H25IN6O13P2
MW:746.296898603439
CID:373297
PubChem ID:194019
Update Time:2023-10-31

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-iodo-1-β-D-ribofuranosylpyridinium, inner salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • 3-iodopyridine-adenine dinucleotide
    • 5'-ester with 3-iodo-1-b-D-ribofuranosylpyridinium, inner salt (9CI)
    • Adenosine5'-(trihydrogen diphosphate), P'&reg
    • 3-Inad
    • Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-iodo-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt
    • Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-iodo-1-β-D-ribofuranosylpyridinium, inner salt (9CI)
    • 56541-70-9
    • (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-2-(3-iodopyridin-1-ium-1-yl)oxolan-3-olate
    • 3-Iodopyridine adenine dinucleotide
    • Inchi： 1S/C20H25IN6O13P2/c21-9-2-1-3-26(4-9)19-15(30)13(28)10(38-19)5-36-41(32,33)40-42(34,35)37-6-11-14(29)16(31)20(39-11)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28-29,31H,5-6H2,(H,32,33)(H,34,35)(H2,22,23,24)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
    • InChI Key： JCBHIKMAWHWWIU-HISDBWNOSA-N
    • SMILES： IC1C=CC=[N+](C=1)[C@H]1[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@H](N3C=NC4C(N)=NC=NC3=4)O2)O)O)O1)O)[O-]

Computed Properties

  • Exact Mass: 746
  • Monoisotopic Mass: 746
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 10
  • Complexity: 1040
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3
  • Topological Polar Surface Area: 278

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-iodo-1-β-D-ribofuranosylpyridinium, inner salt (9CI) Related Literature

Related Categories

56541-70-9 (Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-iodo-1-β-D-ribofuranosylpyridinium, inner salt (9CI)) Related Products

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