Cas no 4457-01-6 (Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate))

Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate) structure
4457-01-6 structure
Product Name:Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate)
CAS No:4457-01-6
MF:C10H16N5O13P3
MW:507.181024551392
CID:929563
PubChem ID:165230
Update Time:2024-02-29

Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate) Chemical and Physical Properties

Names and Identifiers

    • 2'P-ADP
    • 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE
    • 2-Phospho-adenosine diphosphate
    • 1afl
    • adenosine 2'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate)
    • phosphoadenosine diphosphate
    • 9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-2-O-phosphonopentofuranosyl}-9H-purin-6-amine
    • 5'-Diphosphoadenosine 2'-phosphate
    • DB02363
    • Adenosine 2'-phosphoric acid 5'-diphosphoric acid
    • Adenosine 5'-(trihydrogen diphorphate), 2'-(dihydrogen phosphate)
    • Adenosine, 2'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate)
    • 2'-Phosphoadenosine 5'-diphosphate
    • 2'- Monophosphoadenosine-5'-Diphosphate
    • Adenosine, 2'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate) (8CI)
    • Adenosine 2'-phosphate 5'-pyrophosphate (6CI)
    • Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate)
    • 2'-phosphoadenosine diphosphate
    • DTXSID20963244
    • SCHEMBL905455
    • PD060073
    • 4457-01-6
    • [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate
    • D0CH7U
    • Adenosine, 2'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate) (8CI)
    • 2'-Phosphoadenosine 5'-diphosphate
    • Adenosine, 2'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate)
    • NS00070885
    • Inchi: 1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
    • InChI Key: YPTPYQSAVGGMFN-KQYNXXCUSA-N
    • SMILES: P(=O)(O)(O)O[C@H]1[C@H](N2C=NC3C(N)=NC=NC2=3)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H]1O

Computed Properties

  • Exact Mass: 506.99574658g/mol
  • Monoisotopic Mass: 506.99574658g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 8
  • Complexity: 794
  • 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: -5.7
  • Topological Polar Surface Area: 279

Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate) Production Method

Production Method 1

Reaction Conditions
1.1S:H2O, 16 h, 50°C
Reference
Factors influencing the operational stability of NADPH-dependent alcohol dehydrogenase and an NADH-dependent variant thereof in gas/solid reactors
By Kulishova, Liliya et al, Journal of Molecular Catalysis B: Enzymatic, 2010, 67(3-4), 271-283

Production Method 2

Reaction Conditions
1.116 h, 95°C
Reference
Factors influencing the operational stability of NADPH-dependent alcohol dehydrogenase and an NADH-dependent variant thereof in gas/solid reactors
By Kulishova, Liliya et al, Journal of Molecular Catalysis B: Enzymatic, 2010, 67(3-4), 271-283

Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate) Raw materials

Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate) Preparation Products

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