5'-[(2-Aminooxyethyl)methylamino]-5'-deoxy-8-methyladenosine sulfate

HCID 44564175
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Basic information

Standard SMILES
Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCON)[C@@H](O)[C@H]1O.O=S(=O)(O)O
InChIKey
GWLNUWTZDDMPGV-ZBMQJGODSA-N
Molecular formula
C14H25N7O8S
Average molar mass
451.46 g/mol
Monoisotopic mass
451.14853195

Names & identifiers

Preferred name
5'-[(2-Aminooxyethyl)methylamino]-5'-deoxy-8-methyladenosine sulfate
IUPAC
(2R,3R,4S,5R)-2-(6-amino-8-methylpurin-9-yl)-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol;sulfuric acid

Names & synonyms

SCHEMBL955588CHEMBL510356GWLNUWTZDDMPGV-ZBMQJGODSA-N5'-[(2-Aminooxyethyl)methylamino]-5'-deoxy-8-methyladenosine sulfate

Database identifiers

PubChem CID
44564175
ChEMBL
CHEMBL510356

Properties

Computed structural properties

Topological polar surface area
241 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
14
Rotatable bonds
6
Heavy atoms
30

Related reactions

3 records
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Compound notes

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