Cas no 55684-33-8 (Adenosine,7,8-dihydro-8-thioxo-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate,monosodium salt (9CI))

Adenosine,7,8-dihydro-8-thioxo-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate,monosodium salt (9CI) structure
55684-33-8 structure
Product Name:Adenosine,7,8-dihydro-8-thioxo-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate,monosodium salt (9CI)
CAS No:55684-33-8
MF:C14H18N5NaO7PS
MW:454.350553035736
CID:385131
PubChem ID:54599285
Update Time:2025-04-19

Adenosine,7,8-dihydro-8-thioxo-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate,monosodium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • Adenosine,7,8-dihydro-8-thioxo-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate,monosodium salt (9CI)
    • sodium,[6-(6-amino-8-sulfanylidene-7H-purin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
    • 55684-33-8
    • NSC239660
    • DTXSID60712697
    • sodium;[6-(6-amino-8-sulfanylidene-7H-purin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
    • NSC-239660
    • Inchi： 1S/C14H18N5O7PS.Na/c1-2-3-7(20)25-10-9-6(4-23-27(21,22)26-9)24-13(10)19-12-8(18-14(19)28)11(15)16-5-17-12;/h5-6,9-10,13H,2-4H2,1H3,(H,18,28)(H,21,22)(H2,15,16,17);/q;+1
    • InChI Key： NQOMWYDTQBDPCA-UHFFFAOYSA-N
    • SMILES： S=C1NC2C(N)=NC=NC=2N1C1C(C2C(COP(=O)(O)O2)O1)OC(CCC)=O.[Na+]

Computed Properties

  • Exact Mass: 431.06664
  • Monoisotopic Mass: 454.056
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 5
  • Complexity: 701
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 190A^2

Experimental Properties

  • Density: 1.71
  • Boiling Point: 639.4°C at 760 mmHg
  • Flash Point: 340.5°C
  • Refractive Index: 1.687
  • PSA: 158.36
  • LogP: 1.40350

Adenosine,7,8-dihydro-8-thioxo-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate,monosodium salt (9CI) Suppliers

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(CAS:55684-33-8)Adenosine,7,8-dihydro-8-thioxo-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate,monosodium salt (9CI)
Order Number:NC20278
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Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:05
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Adenosine,7,8-dihydro-8-thioxo-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate,monosodium salt (9CI) Related Literature

55684-33-8 (Adenosine,7,8-dihydro-8-thioxo-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate,monosodium salt (9CI)) Related Products

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NewCan Biotech Limited
(CAS:55684-33-8)Adenosine,7,8-dihydro-8-thioxo-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate,monosodium salt (9CI)
NC20278
Purity:97%
Quantity:10g
Price ($):Inquiry
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