5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl ethyl hydrogen phosphate
Molecular Identity
5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl ethyl hydrogen phosphate
PubChem CID: 54097206
2D Structure
Properties
C12H18N5O7P
Molecular Formula
375.27
Molecular Weight
g/mol
375.0944
Exact Mass
Da
-2.6
XLogP
Drug-like (Lipinski: < 5)
175
TPSA
May have limited oral absorption
4
H-Bond Donors
11
H-Bond Acceptors
516
Complexity
SMILES
Canonical SMILES
SMILES: CCOP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OIsomeric SMILES
SMILES: CCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OSynonyms(5)
Monoethyl 5'-adenylate5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine5'-Adenylic acid, monoethyl ester10547-46-3WTA
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine
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