Cas no 108321-31-9 (Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide, disodium salt (9CI))

Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide, disodium salt (9CI) structure
108321-31-9 structure
Product Name:Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide, disodium salt (9CI)
CAS No:108321-31-9
MF:C21H27N7Na2O14P2
MW:709.404648065567
CID:127926
PubChem ID:16219773
Update Time:2025-04-18

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

Names and Identifiers

    • ALPHA-DIHYDRODIPHOSPHOPYRIDINE NUCLEOTIDE DISODIUM SALT
    • disodium,[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
    • 5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-...
    • 5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide, disodium s
    • 5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide, disodium salt (9CI)
    • Adenosine5'-(trihydrogen diphosphate), P'&reg
    • A-Dihydrodiphosphopyridine nucleotide
    • A-Dihydronicotinamide adenine dinucleotide
    • A-DPNH
    • A-NADH
    • A-Nicotinamide adenine dinucleotide,reduced disodium salt
    • ALPHA-NADH DISODIUM SALT
    • ALPHA-DPNH DISODIUM SALT
    • A-nicotinamide adenine dinucleotide*reduced form
    • A-NICOTINAMIDE ADENINE DINUCLEOTIDE*REDU CED FORM DI
    • ALPHA-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE DISODIUM SALT
    • ALPHA-NICOTINAMIDE ADENINE DINUCLEOTIDE, REDUCED FORM DISODIUM SALT
    • α-Dihydrodiphosphopyridine nucleotide, α-Dihydronicotinamide adenine dinucleotide, α-DPNH, α-NADH
    • Adenosine 5-(trihydrogen diphosphate), P?5-ester with 1,4-dihydro-1-.alpha.-D-ribofuranosyl-3-pyridinecarboxamide, disodium salt
    • 108321-31-9
    • Disodium;[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
    • alpha -Nicotinamide adenine dinucleotide, reduced disodium salt
    • DTXSID00585241
    • Adenosine5'-(trihydrogen diphosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide, disodium salt (9CI)
    • Inchi: 1S/C21H29N7O14P2.2Na/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);;/q;2*+1/p-2/t10-,11+,13-,14+,15-,16+,20+,21+;;/m1../s1
    • InChI Key: QRGNQKGQENGQSE-WPVKCSLBSA-L
    • SMILES: P(=O)([O-])(OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](N2C=CCC(C(N)=O)=C2)O1)O)O)OC[C@H]1[C@@H]([C@@H]([C@@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O.[Na+].[Na+]

Computed Properties

  • Exact Mass: 709.08900
  • Monoisotopic Mass: 709.08866112g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 11
  • Complexity: 1210
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 323?2

Experimental Properties

  • PSA: 342.90000
  • LogP: -0.59060

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

  • WGK Germany:3
  • Storage Condition:?20°C

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

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