Cas no 108321-28-4 (Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide,sodium salt (9CI))

Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide,sodium salt (9CI) structure
108321-28-4 structure
Product Name:Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide,sodium salt (9CI)
CAS No:108321-28-4
MF:C21H30N7NaO17P3
MW:768.410658359528
CID:127924
PubChem ID:16219732
Update Time:2025-04-18

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

Names and Identifiers

    • [[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate,sodium
    • ALPHA-NADPH SODIUM SALT
    • A-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, REDUCED FORM SODIUM SALT
    • 5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyri
    • 5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide,sodium salt (9CI)
    • Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'&reg
    • ALPHA-TPNH SODIUM SALT
    • A-nicotinamide adenine dinucleotide*phosphate red
    • A-NICOTINAMIDE ADENINE DINUCLEOTIDE*PHOS PHATE REDUC
    • ALPHA-TRIPHOSPHOPYRIDINE NUCLEOTIDE, REDUCED FORM SODIUM SALT
    • α-NADPH, α-TPNH, α-Triphosphopyridine nucleotide, reduced form
    • ALPHA-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, REDUCED FORM SODIUM SALT
    • CID 16219732
    • [[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;sodium
    • DTXSID70585233
    • 108321-28-4
    • PUBCHEM_16219732
    • Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide,sodium salt (9CI)
    • Inchi: 1S/C21H30N7O17P3.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-15(31)16(44-46(33,34)35)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)14(30)20(42-10)27-3-1-2-9(4-27)18(23)32;/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35);
    • InChI Key: JPYVMBKHHSQDKS-UHFFFAOYSA-N
    • SMILES: P(=O)(O)(O)OC1C(COP(=O)(O)OP(=O)(O)OCC2C(C(C(N3C=CCC(C(N)=O)=C3)O2)O)O)OC(C1O)N1C=NC2C(N)=NC=NC1=2.[Na]

Computed Properties

  • Exact Mass: 768.0811
  • Monoisotopic Mass: 768.08087279g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 49
  • Rotatable Bond Count: 13
  • Complexity: 1410
  • 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
  • Topological Polar Surface Area: 364?2

Experimental Properties

  • PSA: 364.15
  • LogP: -0.90060

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

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

Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'®5'-ester with 1,4-dihydro-1-a-D-ribofuranosyl-3-pyridinecarboxamide,sodium salt (9CI) Related Literature

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