Cas no 102783-40-4 (Adenosine5'-(tetrahydrogen triphosphate), P''®5'-ester with adenosine, triammonium salt (9CI))

Adenosine 5'-(tetrahydrogen triphosphate), P''-5'-ester with adenosine, triammonium salt (9CI), is a nucleotide derivative with significant applications in biochemical and pharmaceutical research. This compound serves as a high-purity reference standard for studying ATP-dependent enzymatic processes, signal transduction, and energy metabolism. Its triammonium salt form enhances solubility in aqueous solutions, facilitating experimental use in buffer systems. The ester linkage at the 5'-position ensures stability under physiological conditions, making it suitable for in vitro assays. Researchers value this compound for its role in elucidating kinase and phosphatase mechanisms, as well as its utility in synthesizing modified nucleotides for probing nucleic acid interactions.
Adenosine5'-(tetrahydrogen triphosphate), P''®5'-ester with adenosine, triammonium salt (9CI) structure
102783-40-4 structure
Product Name:Adenosine5'-(tetrahydrogen triphosphate), P''®5'-ester with adenosine, triammonium salt (9CI)
CAS No:102783-40-4
MF:C20H30N11O16P3
MW:773.437585353851
CID:125247
PubChem ID:16219211
Update Time:2025-06-06

Adenosine5'-(tetrahydrogen triphosphate), P''®5'-ester with adenosine, triammonium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • Adenosine5'-(tetrahydrogen triphosphate), P''&reg
    • azane,bis[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
    • DIADENOSINE TRIPHOSPHATE AMMONIUM SALT
    • P1,P3-Di(adenosine-5') triphosphate ammonium salt
    • 5'-ester with adenosine, triammonium salt (9CI)
    • a(5')p3(5')a
    • A[5']P3[5']A AMMONIUM SALT
    • P1,P3-Di(adenosine-5′) triphosphate
    • A(5μ)P3(5μ)A, Diadenosine triphosphate
    • P1,P3-DI(ADENOSINE-5')TRIPHOSPHATEAMMONI UM
    • DTXSID20585122
    • azane;bis[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
    • 102783-40-4
    • FT-0642501
    • Adenosine5'-(tetrahydrogen triphosphate), P''®5'-ester with adenosine, triammonium salt (9CI)
    • Inchi: 1S/C20H27N10O16P3.H3N/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30;/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26);1H3
    • InChI Key: PKSQTRWRSNNYCW-UHFFFAOYSA-N
    • SMILES: P(=O)(O)(OP(=O)(O)OP(=O)(O)OCC1C(C(C(N2C=NC3C(N)=NC=NC2=3)O1)O)O)OCC1C(C(C(N2C=NC3C(N)=NC=NC2=3)O1)O)O.N

Computed Properties

  • Exact Mass: 773.1088
  • Monoisotopic Mass: 773.10848490g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 25
  • Heavy Atom Count: 50
  • Rotatable Bond Count: 12
  • Complexity: 1240
  • 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: 388?2

Experimental Properties

  • Boiling Point: 1212.2°C at 760 mmHg
  • Flash Point: 686.9°C
  • PSA: 422.44
  • LogP: -1.07710

Adenosine5'-(tetrahydrogen triphosphate), P''®5'-ester with adenosine, triammonium salt (9CI) Security Information

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

Adenosine5'-(tetrahydrogen triphosphate), P''®5'-ester with adenosine, triammonium salt (9CI) Pricemore >>

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