Cas no 117750-47-7 (Adenosine, 5'®P''-ester with thiotriphosphoricacid ((HO)2P(O)OP(O)(OH)OP(35S)(OH)2) (9CI))

Adenosine, 5'®P''-ester with thiotriphosphoricacid ((HO)2P(O)OP(O)(OH)OP(35S)(OH)2) (9CI) structure
117750-47-7 structure
Product Name:Adenosine, 5'®P''-ester with thiotriphosphoricacid ((HO)2P(O)OP(O)(OH)OP(35S)(OH)2) (9CI)
CAS No:117750-47-7
MF:C10H16N5O12P3S
MW:523.246623039246
CID:229712
PubChem ID:440317
Update Time:2025-04-19

Adenosine, 5'®P''-ester with thiotriphosphoricacid ((HO)2P(O)OP(O)(OH)OP(35S)(OH)2) (9CI) Chemical and Physical Properties

Names and Identifiers

    • Adenosine, 5'&reg
    • P''-ester with thiotriphosphoricacid ((HO)2P(O)OP(O)(OH)OP(35S)(OH)2) (9CI)
    • 5'-O-[(S)-Hydroxy{[(R)-hydroxy(thiophosphonooxy)phosphoryl]oxy}ph osphoryl]adenosine
    • alpha-thioadenosine triphosphate
    • 5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]adenosine
    • Adenosine, 5'-P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(35S)(OH)2)
    • alpha-Thio-ATP
    • Adenosine-5'-(3-thiotriphosphate)
    • 1njf
    • DB02930
    • adenosine 5'-[gamma-thio]triphosphate
    • Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid (9CI)
    • Adenosine 5-O-(3-thiotriphophate)
    • adenosine 5'-O-thiotriphosphate
    • SCHEMBL20164791
    • 35094-46-3
    • ADENOSINE-5'-O-(1-THIOTRIPHOSPHATE), SP-ISOMER SODIUM SALT
    • (gamma-S)ATP
    • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphinothioyl hydrogen phosphate
    • Adenosine 5 inverted exclamation marka-(3-thiotriphosphate)
    • Adenosine 5'-O-(3-thiotriphosphate)
    • Gamma Thio ATP
    • 1w1w
    • Adenosine 5'-(gamma-thiotriphosphate)
    • 5'-O-(hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)adenosine
    • Adenosine 5'-O-(gamma-thiotriphosphate)
    • CHEMBL131890
    • CHEBI:27575
    • BDBM50118217
    • ADENOSINE-5''-DIPHOSPHATE MONOTHIOPHOSPHATE
    • DTXSID301138619
    • Adenosine 5'-(gamma-thio)triphosphate
    • 1xxh
    • gamma-Thio-ATP
    • Adenosine 5'-(3-thio)triphosphate
    • Adenosine 5'-thiotriphosphate
    • Adenosine 5'-(trihydrogen diphosphate), p'-anhydride with phosphorothioic acid
    • Adenosine 5'-(trihydrogen diphosphate), monoanhydride with phosphorothioic acid
    • ATP-gamma-S
    • ATP.gamma.S
    • adenosine, 5'-O-[[[[(dihydroxyphosphinothioyl)oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-
    • ATP-gammaS
    • [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-sulfanyl-phosphinic acid
    • [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-sulfanylphosphinic acid
    • 117750-47-7
    • Adenosine 5'-(.gamma.-S)triphosphate
    • Adenosine 5'-(gamma-S)triphosphate
    • Adenosine 5'-[gamma-S]triphosphate
    • adenosine-5'-diphosphate monothiophosphate
    • phosphothiophosphoric acid-adenylate ester
    • SCHEMBL77440
    • ATPgammaS
    • Adenosine 5'-(3-thiotriphosphate)
    • Adenosine 5a(2)-(trihydrogen diphosphate), Pa(2)-anhydride with phosphorothioic acid
    • Adenosine, 5'®P''-ester with thiotriphosphoricacid ((HO)2P(O)OP(O)(OH)OP(35S)(OH)2) (9CI)
    • Inchi： 1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
    • InChI Key： NLTUCYMLOPLUHL-KQYNXXCUSA-N
    • SMILES： S=P(O)(O)OP(=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: 522.97308
  • Monoisotopic Mass: 522.973
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 8
  • Complexity: 805
  • 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: _4
  • Topological Polar Surface Area: 294?2

Experimental Properties

  • Density: 2.56g/cm3
  • Boiling Point: 940.5oC at 760mmHg
  • Flash Point: 522.6oC
  • Refractive Index: 1.92
  • PSA: 258.9
  • LogP: -0.28080

Adenosine, 5'®P''-ester with thiotriphosphoricacid ((HO)2P(O)OP(O)(OH)OP(35S)(OH)2) (9CI) Related Literature

117750-47-7 (Adenosine, 5'®P''-ester with thiotriphosphoricacid ((HO)2P(O)OP(O)(OH)OP(35S)(OH)2) (9CI)) Related Products

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