Cas no 81336-74-5 (5'-Adenylic acid,anhydride with (dichloromethylene)bis[phosphonic acid] (1:1))

5'-Adenylic acid,anhydride with (dichloromethylene)bis[phosphonic acid] (1:1) structure
81336-74-5 structure
Product Name:5'-Adenylic acid,anhydride with (dichloromethylene)bis[phosphonic acid] (1:1)
CAS No:81336-74-5
MF:C11H16Cl2N5O12P3
MW:574.098322868347
CID:721300
PubChem ID:174233
Update Time:2025-04-19

5'-Adenylic acid,anhydride with (dichloromethylene)bis[phosphonic acid] (1:1) Chemical and Physical Properties

Names and Identifiers

    • 5'-Adenylic acid,anhydride with (dichloromethylene)bis[phosphonic acid] (1:1)
    • 5'-ADENYLIC ACID MONOANHYDRIDE WITH (DICHLOROPHOSPHONOMETHYL)PHOSPHONIC ACID
    • beta,gamma-Dichloromethane-ATP
    • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(dichlorooxyphosphorylmethyl)phosphinic acid
    • Adenosine 5'-(beta,gamma-dichloromethylene) triphosphate
    • 9-{5-O-[{[{[Bis(chlorooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
    • Bgd-ATP
    • DTXSID801001930
    • 81336-74-5
    • 5'-Adenylic acid, monoanhydride with (dichlorophosphonomethyl)phosphonic acid
    • Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate
    • Inchi： 1S/C11H16Cl2N5O12P3/c12-28-32(23,29-13)4-31(21,22)30-33(24,25)26-1-5-7(19)8(20)11(27-5)18-3-17-6-9(14)15-2-16-10(6)18/h2-3,5,7-8,11,19-20H,1,4H2,(H,21,22)(H,24,25)(H2,14,15,16)/t5-,7-,8-,11-/m1/s1
    • InChI Key： MYVOXUCRWLLKSA-IOSLPCCCSA-N
    • SMILES： ClOP(CP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O)(=O)OCl

Computed Properties

  • Exact Mass: 540.94900
  • Monoisotopic Mass: 572.9385373g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 8
  • Complexity: 839
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.2
  • Topological Polar Surface Area: 248?2

Experimental Properties

  • PSA: 258.87000
  • LogP: 1.55610

5'-Adenylic acid,anhydride with (dichloromethylene)bis[phosphonic acid] (1:1) Suppliers

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(CAS:81336-74-5)5'-Adenylicacidmonoanhydridewith(dichlorophosphonomethyl)phosphonicacid
Order Number:NC13915
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Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:02
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81336-74-5 (5'-Adenylic acid,anhydride with (dichloromethylene)bis[phosphonic acid] (1:1)) Related Products

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NewCan Biotech Limited
(CAS:81336-74-5)5'-Adenylicacidmonoanhydridewith(dichlorophosphonomethyl)phosphonicacid
NC13915
Purity:97%
Quantity:10g
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