S-(5'-deoxyadenosyl-5')-S-methylthioethylhydroxylamine
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Basic information
- CAS
84981-49-7- Standard SMILES
CSCCN(O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O- InChIKey
PLJPLCIBJUZTTC-IVZWLZJFSA-N- Molecular formula
- C13H20N6O3S
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.13175969
Overview
structure given in first source
Names & identifiers
- Preferred name
- S-(5'-deoxyadenosyl-5')-S-methylthioethylhydroxylamine
- IUPAC
- (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy(2-methylsulfanylethyl)amino]methyl]oxolan-3-ol
- English name
- S-(5'-deoxyadenosyl-5')-S-methylthioethylhydroxylamine
- Molecular formula
- C13H21N6O4S+
- Molecular weight
- 357.41
Names & synonyms
84981-49-7S-(5'-Deoxyadenosyl-5')-S-methylthioethylhydroxylamineRefChem:180558S-(5'-Deoxy-5'-adenosyl)methylthioethylhydroxylamineDamteh2',5'-dideoxy-5'-{hydroxy[2-(methylsulfanyl)ethyl]amino}adenosine(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy(2-methylsulfanylethyl)amino]methyl]oxolan-3-olDTXSID201005308(12-(Aminooxy)ethyl)(5'-deoxyadenosin-5'-yl)(methyl)sulfoniumAdenosine, 5'-((2-(aminooxy)ethyl)methylsulfonio)-5'-deoxy-, cis-(+-)-9-(2,5-Dideoxy-5-{hydroxy[2-(methylsulfanyl)ethyl]amino}pentofuranosyl)-9H-purin-6-amine
Database identifiers
- CAS
84981-49-7- PubChem CID
- 134872
- DTXSID
DTXSID201005308
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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