Cas no 19341-57-2 (Adenosine,5'-(dihydrogen phosphorothioate))

Adenosine,5'-(dihydrogen phosphorothioate) structure
19341-57-2 structure
Product Name:Adenosine,5'-(dihydrogen phosphorothioate)
CAS No:19341-57-2
MF:C10H14N5O6PS
MW:363.286820888519
CID:152973
PubChem ID:6913230
Update Time:2025-04-19

Adenosine,5'-(dihydrogen phosphorothioate) Chemical and Physical Properties

Names and Identifiers

    • Adenosine,5'-(dihydrogen phosphorothioate)
    • (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)oxolane-3,4-diol
    • Adenosin 5'-O-(Monothiophosphate)
    • adenosine 5'-monothiophosphate
    • Adenosine 5'-O-thiomonophosphate
    • Adenosine 5'-phosphorothioate
    • Adenosine 5'-thiophosphate
    • Adenosine-5'-Thio-Monophosphate
    • AMP-S
    • O5'-dihydroxythiophosphoryl-adenosine
    • SRA
    • Thiophosphoryl adenylic acid
    • 5'-AMPS 2 LI
    • AMP-S DILITHIUM SALT
    • Adensine 5'-o-thiomonophosphate dilithium salt
    • ADENOSINE 5'-O-THIOMONOPHOSPHATE DILITHIUM SALT
    • adenosine 5'-[alpha-thio]monophosphate dilithium salt
    • DTXSID30172946
    • adenosine phosphorothioate
    • SCHEMBL1091093
    • 5'-O-thiophosphonoadenosine
    • 5'-(Dihydrogen phosphorothioate)adenosine
    • ADENOSINE 5/'-O-THIOMONOPHOSPHATE DILITHIUM SALT
    • CHEMBL574816
    • Q27465464
    • O-(((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)O,O-dihydrogenphosphorothioate
    • Adenosine -5'-Thio-Monophosphate
    • O-(((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl) O,O-dihydrogen phosphorothioate
    • 19341-57-2
    • Inchi: 1S/C10H14N5O6PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(21-10)1-20-22(18,19)23/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23)/t4-,6-,7-,10-/m1/s1
    • InChI Key: UBCPYVAQZGCDJO-KQYNXXCUSA-N
    • SMILES: S=P(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: 375.05700
  • Monoisotopic Mass: 363.04024
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 485
  • 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
  • Surface Charge: 0
  • Tautomer Count: 6
  • XLogP3: nothing
  • Topological Polar Surface Area: 201

Experimental Properties

  • Color/Form: Uncertain
  • Density: 2.25
  • Boiling Point: 785.1°Cat760mmHg
  • Flash Point: 428.6°C
  • Refractive Index: 1.925
  • PSA: 203.78000
  • LogP: 0.36160
  • Solubility: Uncertain

Adenosine,5'-(dihydrogen phosphorothioate) Security Information

  • WGK Germany:1
  • Hazard Category Code: 20/21/22-36
  • Safety Instruction: S26
  • Hazardous Material Identification: Xn
  • Safety Term:S26-36/37/39-45-7/9
  • Risk Phrases:R20/21/22
  • Storage Condition:?20°C

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