5'-Amino-5'-deoxyadenosine p-toluenesulfonate salt
Basic information
- CAS
81090-75-7- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O- InChIKey
KEAONEXDJAQJJU-MCDZGGTQSA-N- Molecular formula
- C17H22N6O6S
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.13215362
Names & identifiers
- Preferred name
- 5'-Amino-5'-deoxyadenosine p-toluenesulfonate salt
- IUPAC
- (2R,3S,4R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol;4-methylbenzenesulfonic acid
- English name
- 5'-AMINO-5'-DEOXYADENOSINE P-TOLUENESULFONATE SALT
- Molecular formula
- C17H22N6O6S
- Molecular weight
- 438.46
Names & synonyms
81090-75-75'-Amino-5'-deoxyadenosine p-toluenesulfonate salt5-Amino-5-deoxyadenosinep-toluenesulfonatesalt(2R,3S,4R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol;4-methylbenzenesulfonic acidCHEMBL3392362DTXSID40555928HMS3260A14Tox21_500086LP00086NCGC00186048-01NCGC00260771-015'-Amino-5'-deoxyadenosine p-toluenesulfonate salt, solid
Show more names
5'-amino-5'-deoxyadenosine P-*toluenesulfonate5''-Amino-5''-deoxyadenosine p-toluenesulfonic acid5'-Amino-5'-deoxyadenosine p-toluenesulphonate salt(2r,3r,4s,5r)-2-(6-Amino-9h-purin-9-yl)-5-(aminomethyl)tetrahydrofuran-3,4-diol 4-methylbenzenesulfonate4-Chloro-7-((3aS,4R,6R,6aR)-2,2-dimethyl-6-vinyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
4-Methylbenzene-1-sulfonic acid--5'-amino-5'-deoxyadenosine (1/1)
Database identifiers
- CAS
81090-75-7- PubChem CID
- 14102575
- DTXSID
DTXSID40555928- ChEMBL
CHEMBL3392362
Properties
Computed structural properties
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 541
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- WGK Germany
- 3 · 3
- HS Code
- 29389090 · 29389090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29389090
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Related reactions
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Compound notes
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