Cas no 104809-32-7 (Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 1,4-dihydro-1-b-D-ribofuranosyl-3-pyridinecarboxamide, dipotassium salt (9CI))

Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 1,4-dihydro-1-b-D-ribofuranosyl-3-pyridinecarboxamide, dipotassium salt (9CI) structure
104809-32-7 structure
Product Name:Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 1,4-dihydro-1-b-D-ribofuranosyl-3-pyridinecarboxamide, dipotassium salt (9CI)
CAS No:104809-32-7
MF:C21H29KN7O14P2
MW:704.53928732872
MDL:MFCD00079494
CID:126458
PubChem ID:16219751
Update Time:2024-11-03

Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 1,4-dihydro-1-b-D-ribofuranosyl-3-pyridinecarboxamide, dipotassium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate,potassium
    • Adenosine5'-(trihydrogen diphosphate), P'&reg
    • 5'-ester with 1,4-dihydro-1-b-D-ribofuranosyl-3-...
    • 5'-ester with 1,4-dihydro-1-b-D-ribofuranosyl-3-pyridinecarboxamide, dipotassiu
    • 5'-ester with 1,4-dihydro-1-b-D-ribofuranosyl-3-pyridinecarboxamide, dipotassium salt (9CI)
    • A-Nicotinamide adenine dinucleotide,reduced dipotassium salt
    • Diphosphopyridine nucleotide,reduced form
    • NADH DIPOTASSIUM SALT
    • DPNH DIPOTASSIUM SALT
    • BETA-NADH DIPOTASSIUM SALT
    • BETA-DPNH DIPOTASSIUM SALT
    • B-nad reduced form dipotassium
    • DIPHOSPHOPYRIDINE NUCLEOTIDE, REDUCED FORM DIPOTASSIUM SALT
    • β-nicotinamide adenine dinucleotide, reduced dipotassium salt
    • Beta-NicotinaMide Adenine Dinucleotide, Reduced DipotassiuM Salt
    • BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE, REDUCED FORM DIPOTASSIUM SALT
    • β-DPNH, β-NADH, Diphosphopyridine nucleotide, reduced form, DPNH, NADH
    • Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 1,4-dihydro-1-b-D-ribofuranosyl-3-pyridinecarboxamide, dipotassium salt (9CI)
    • IMPDH2
    • FT-0710673
    • [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;potassium
    • DTXSID50585236
    • PUBCHEM_16219751
    • 104809-32-7
    • beta -Nicotinamide adenine dinucleotide, reduced dipotassium salt
    • ZUPXXZAVUHFCNV-UHFFFAOYSA-N
    • MDL: MFCD00079494
    • Inchi: 1S/C21H29N7O14P2.K/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33;/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25);
    • InChI Key: ZUPXXZAVUHFCNV-UHFFFAOYSA-N
    • SMILES: [K].P(=O)(O)(OP(=O)(O)OCC1C(C(C(N2C=CCC(C(N)=O)=C2)O1)O)O)OCC1C(C(C(N2C=NC3C(N)=NC=NC2=3)O1)O)O

Computed Properties

  • Exact Mass: 741.03700
  • Monoisotopic Mass: 704.08847910g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 11
  • Complexity: 1230
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 6
  • XLogP3: nothing
  • Topological Polar Surface Area: 318?2

Experimental Properties

  • PSA: 342.90000
  • LogP: -0.59060

Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 1,4-dihydro-1-b-D-ribofuranosyl-3-pyridinecarboxamide, dipotassium salt (9CI) Security Information

  • WGK Germany:-
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • Hazardous Material Identification: Xi
  • Storage Condition:2-8°C
  • Risk Phrases:R36/37/38

Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 1,4-dihydro-1-b-D-ribofuranosyl-3-pyridinecarboxamide, dipotassium salt (9CI) Pricemore >>

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