Cas no 485-84-7 (5'-Adenylic acid,anhydride with sulfuric acid (1:1))

5'-Adenylic acid,anhydride with sulfuric acid (1:1) structure
485-84-7 structure
Product Name:5'-Adenylic acid,anhydride with sulfuric acid (1:1)
CAS No:485-84-7
MF:C10H14N5O10PS
MW:427.284421443939
CID:329131
PubChem ID:10238
Update Time:2025-04-19

5'-Adenylic acid,anhydride with sulfuric acid (1:1) Chemical and Physical Properties

Names and Identifiers

    • 5'-Adenylic acid,anhydride with sulfuric acid (1:1)
    • 6-amino-9-[3,4-dihydroxy-5-[(hydroxy-sulfooxy-phosphoryl)oxymethyl]oxolan-2-yl]-purine
    • 5'-adenylyl hydrogen sulfate
    • 5'-O-[Hydroxy(sulfooxy)phosphoryl]adenosine
    • Adenosine 5'-phosphosulfate
    • Adenosine 5'-sulfatophosphate
    • adenosine phosphosulfate
    • Adenosine sulfatophosphate
    • adenosine, 5'-O-[hydroxy(sulfooxy)phosphinyl]-
    • ADENOSINE-5'-PHOSPHOSULFATE
    • Adenylyl sulfate
    • CHEMBL572546
    • adenylyl-sulfate
    • CHEBI:17709
    • 4-26-00-03628 (Beilstein Handbook Reference)
    • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfo hydrogen phosphate
    • phosphosulfate
    • Adenosine-5'-phosphosulfate sodium salt
    • [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]sulfonic acid
    • 5'-Adenylic acid, monoanhydride with sulfuric acid
    • 5'-O-[(S)-hydroxy(sulfooxy)phosphoryl]adenosine
    • C00224
    • AMP-S, BRN-0067726
    • sulfatophosphate
    • 5'-Adenylyl sulfate
    • adenosine 5'-sulphatophosphate
    • ADX
    • adenylic acid monoanhydride with sulfuric acid
    • BDBM25461
    • Q356138
    • AMPS
    • Adenosine 5'-phosphosulphate
    • (((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) sulfuric anhydride
    • Adenylylsulfate
    • adenylic acid monoanhydride with sulfurate
    • BRN 0067726
    • Phosphosulphate
    • IRLPACMLTUPBCL-KQYNXXCUSA-N
    • adenylyl-sulphate
    • 57D51844-70A4-4E5C-A9EF-DF05C8DC73A2
    • SCHEMBL163762
    • Adenosine Phosphosulfate (APS)
    • DB03708
    • adenosine phosphosulphate
    • adenylyl sulphate
    • NS00015211
    • 485-84-7
    • Adenosine 5-Phosphosulfate
    • APS
    • 5'-adenylyl sulfate dianion
    • Inchi: 1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1
    • InChI Key: IRLPACMLTUPBCL-KQYNXXCUSA-N
    • SMILES: S(=O)(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O

Computed Properties

  • Exact Mass: 427.019899
  • Monoisotopic Mass: 427.019899
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 6
  • Complexity: 692
  • 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: _3.9
  • Topological Polar Surface Area: 238

Experimental Properties

  • Density: 2.42
  • Refractive Index: 1.884
  • PSA: 247.63000
  • LogP: -0.37390

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