5'-O-[(R)-(carboxyoxy)(hydroxy)phosphoryl]adenosine
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen carbonate
Molecular Identity
5'-O-[(R)-(carboxyoxy)(hydroxy)phosphoryl]adenosine
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen carbonate
PubChem CID: 90898916
2D Structure
Properties
C11H14N5O9P
Molecular Formula
391.23
Molecular Weight
g/mol
391.0529
Exact Mass
Da
-2.9
XLogP
Drug-like (Lipinski: < 5)
212
TPSA
May have limited oral absorption
5
H-Bond Donors
13
H-Bond Acceptors
584
Complexity
SMILES
Canonical SMILES
SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OC(=O)O)O)O)NIsomeric SMILES
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)O)O)O)NSynonyms(2)
5'-O-[(R)-(carboxyoxy)(hydroxy)phosphoryl]adenosineKG4
Data from PubChem (NCBI)
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Molecular Structure
5'-O-[(R)-(carboxyoxy)(hydroxy)phosphoryl]adenosine
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Drug Network
Trials and conditions connected to 5'-O-[(R)-(carboxyoxy)(hydroxy)phosphoryl]adenosine
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