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Inosine, 2',3'-dideoxy-6-O-hexyl-

HCID 452991
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Basic information

CAS
146202-53-1
Standard SMILES
CCCCCCOc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1
InChIKey
SUXOEXDKWQPOGO-QWHCGFSZSA-N
Molecular formula
C16H24N4O3
Average molar mass
320.39 g/mol
Monoisotopic mass
320.18484064

Names & identifiers

Preferred name
Inosine, 2',3'-dideoxy-6-O-hexyl-
IUPAC
[(2S,5R)-5-(6-hexoxypurin-9-yl)oxolan-2-yl]methanol

Names & synonyms

Inosine, 2',3'-dideoxy-6-O-hexyl-6-Hexopurine-2',3'-dideoxynucleoside146202-53-16-Hexoxy-PddN deriv.DTXSID60163307[(2S,5R)-5-(6-hexoxypurin-9-yl)tetrahydrofuran-2-yl]methanol{(2S,5R)-5-[6-(Hexyloxy)-9H-purin-9-yl]oxolan-2-yl}methanol

Database identifiers

CAS
146202-53-1
PubChem CID
452991
DTXSID
DTXSID60163307
Nikkaji
J533.728C

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
82.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
23
Formal charge
0
Complexity
360

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