8-Carboxymethylthio-5'-azido-5'-deoxyadenosine

HCID 86704392
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Basic information

Standard SMILES
[N-]=[N+]=NC[C@H]1O[C@@H](n2c(SCC(=O)O)nc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIKey
ZAAKCPNKOSZGPF-TZQXKBMNSA-N
Molecular formula
C12H14N8O5S
Average molar mass
382.36 g/mol
Monoisotopic mass
382.08078675

Names & identifiers

Preferred name
8-Carboxymethylthio-5'-azido-5'-deoxyadenosine
IUPAC
2-[6-amino-9-[(2R,3R,4S,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-yl]purin-8-yl]sulfanylacetic acid

Names & synonyms

ZAAKCPNKOSZGPF-TZQXKBMNSA-N8-Carboxymethylthio-5'-azido-5'-deoxyadenosine

Database identifiers

PubChem CID
86704392

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
196 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
12
Rotatable bonds
6
Heavy atoms
26

Related reactions

1 records
New reaction record

Linked notes

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