HISTIDYL-ADENOSINE MONOPHOSPHATE
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
Molecular Identity
HISTIDYL-ADENOSINE MONOPHOSPHATE
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
PubChem CID: 444222
2D Structure
Properties
C16H21N8O8P
Molecular Formula
484.36
Molecular Weight
g/mol
484.1220
Exact Mass
Da
-6
XLogP
Drug-like (Lipinski: < 5)
247
TPSA
May have limited oral absorption
6
H-Bond Donors
14
H-Bond Acceptors
753
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(9)
HISTIDYL-ADENOSINE MONOPHOSPHATE(((2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl)oxy)((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy))phosphinic acid{[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]oxy}({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acidRefChem:788398HAMSCHEMBL29941636DB04201NS00071923Q27461031
Data from PubChem (NCBI)
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