8-Chloroadenosine
(2R,3R,4S,5R)-2-(6-amino-8-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular Identity
8-Chloroadenosine
(2R,3R,4S,5R)-2-(6-amino-8-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID: 147569
2D Structure
Properties
C10H12ClN5O4
Molecular Formula
301.69
Molecular Weight
g/mol
301.0578
Exact Mass
Da
-0.1
XLogP
Drug-like (Lipinski: < 5)
140
TPSA
May have limited oral absorption
4
H-Bond Donors
8
H-Bond Acceptors
367
Complexity
SMILES
Canonical SMILES
SMILES: C1=NC(=C2C(=N1)N(C(=N2)Cl)C3C(C(C(O3)CO)O)O)NIsomeric SMILES
SMILES: C1=NC(=C2C(=N1)N(C(=N2)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NSynonyms(20)
8-Chloroadenosine34408-14-58-Chloro-adenosineAdenosine, 8-chloro-8-Cl-AdoPA05MFH3I7NSC-3542588-Cl-adenosineRefChem:107022UNII-PA05MFH3I7MFCD01076457(2R,3R,4S,5R)-2-(6-amino-8-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolSCHEMBL987728(2R,3R,4S,5R)-2-(6-amino-8-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diolAKOS024284395
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 8-Chloroadenosine
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