Cas no 68745-44-8 (8-hydroxyadenosine 5'-triphosphate)
68745-44-8 structure
Product Name:8-hydroxyadenosine 5'-triphosphate
CAS No:68745-44-8
MF:C10H16N5O14P3
MW:523.180424690247
CID:971948
PubChem ID:129627
Update Time:2025-04-19
8-hydroxyadenosine 5'-triphosphate Chemical and Physical Properties
Names and Identifiers
-
- 8-hydroxyadenosine 5'-triphosphate
- [[(2R,3S,4R,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- SCHEMBL15794730
- 68745-44-8
- CHEMBL4449132
- CHEBI:189101
- 8-hydroxyadenosine-5'-triphosphate
- 8-oxo-ATP
- H6Y
- 8-Oxo-Adenosine-5'-Triphosphate
- 8-oxoadenosine-5'-triphosphate
- 8-oxo-8-hydroadenosine 5'-(tetrahydrogen triphosphate)
- Adenosine 5'-(tetrahydrogen triphosphate), 7,8-dihydro-8-oxo-
- Q27461010
- 6-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-8-ol
- 8-hydroxyadenosine 5'-(tetrahydrogen triphosphate)
- CHEBI:189100
- DTXSID20988452
-
- Inchi： 1S/C10H16N5O14P3/c11-7-4-8(13-2-12-7)15(10(18)14-4)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,14,18)(H,22,23)(H,24,25)(H2,11,12,13)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
- InChI Key： CAIHKAFUTAIAPY-UUOKFMHZSA-N
- SMILES： P(=O)(O)(OP(=O)(O)OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C(NC3C(N)=NC=NC2=3)=O)O1)O)O
Computed Properties
- Exact Mass: 522.99078
- Monoisotopic Mass: 522.99066119g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 32
- Rotatable Bond Count: 8
- Complexity: 872
- 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: -6.3
- Topological Polar Surface Area: 294?2
Experimental Properties
- PSA: 293.65
8-hydroxyadenosine 5'-triphosphate Related Literature
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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