Cas no 123334-06-5 (Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, monosodiumsalt, monohydrate (9CI))

Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, monosodiumsalt, monohydrate (9CI) structure
123334-06-5 structure
Product Name:Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, monosodiumsalt, monohydrate (9CI)
CAS No:123334-06-5
MF:C18H25N5NaO9P
MW:509.382735967636
CID:138948
PubChem ID:74083849
Update Time:2025-04-19

Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, monosodiumsalt, monohydrate (9CI) Chemical and Physical Properties

Names and Identifiers

    • Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, monosodiumsalt, monohydrate (9CI)
    • Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, monosodiumsalt, mon...
    • N6,2 -O-Dibutyryladenosine 3 ,5 -cyclic monophosphate
    • N6,2'-O-Dibutyryladenosine 3',5'-cyclic Monophosphate, sodiuM salt Monohydrate
    • N-6,O-2'-DIBUTYRYLADENOSINE 3':5'-CYCLIC MONOPHOSPHATE SODIUM SALT 1H2O
    • N-6,O-2'-DIBUTYRYLADENOSINE 3':5'-CYCLIC MONOPHOSPHATE SODIUM SALT 1H2O, 98
    • NULL
    • SODIUM DIBUTYACY CYCLPHOSPHATE
    • N6,O-2-Dibutyryladenosine 3:5-cyclic monophosphate sodium salt monohydrate
    • sodium (4aR,6R,7R,7aR)-6-[6-(butanoylamino)-9H-purin-9-yl]-7-(butanoyloxy)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate 2-oxide hydrate
    • 123334-06-5
    • sodium;[6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate;hydrate
    • Inchi： 1S/C18H24N5O8P.Na.H2O/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14;;/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);;1H2/q;+1;/p-1
    • InChI Key： MBIUSAASWSOYGU-UHFFFAOYSA-M
    • SMILES： P1(=O)([O-])OCC2C(C(C(N3C=NC4C(NC(CCC)=O)=NC=NC3=4)O2)OC(CCC)=O)O1.[Na+].O

Computed Properties

  • Exact Mass: 509.12900
  • Monoisotopic Mass: 509.12875867g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 8
  • Complexity: 765
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 168?2

Experimental Properties

  • Melting Point: 240-245°C
  • PSA: 189.35000
  • LogP: 2.14770

Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, monosodiumsalt, monohydrate (9CI) Suppliers

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(CAS:123334-06-5)N6,2'-O-Dibutyryladenosine 3',5'-cyclic monophosphate, sodium salt monohydrate
Order Number:NC22401
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Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:16
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123334-06-5 (Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, monosodiumsalt, monohydrate (9CI)) Related Products

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NewCan Biotech Limited
(CAS:123334-06-5)N6,2'-O-Dibutyryladenosine 3',5'-cyclic monophosphate, sodium salt monohydrate
NC22401
Purity:97%
Quantity:10g
Price ($):Inquiry
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