Molecules/[(3s)-4-Hydroxy-3-{[(4-Oxo-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]amino}butyl]phosphonic Acid
[(3s)-4-Hydroxy-3-{[(4-Oxo-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]amino}butyl]phosphonic Acid
[(3S)-4-hydroxy-3-[(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methylamino]butyl]phosphonic acid
Molecular Identity
[(3s)-4-Hydroxy-3-{[(4-Oxo-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]amino}butyl]phosphonic Acid
[(3S)-4-hydroxy-3-[(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methylamino]butyl]phosphonic acid
PubChem CID: 135566536
2D Structure
Properties
C11H17N4O5P
Molecular Formula
316.25
Molecular Weight
g/mol
316.0937
Exact Mass
Da
-5.2
XLogP
Drug-like (Lipinski: < 5)
147
TPSA
May have limited oral absorption
6
H-Bond Donors
7
H-Bond Acceptors
454
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(C2=C(N1)C(=O)NC=N2)CNC(CCP(=O)(O)O)COIsomeric SMILES
SMILES: C1=C(C2=C(N1)C(=O)NC=N2)CN[C@@H](CCP(=O)(O)O)COSynonyms(7)
CHEMBL2414636[(3s)-4-Hydroxy-3-{[(4-Oxo-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]amino}butyl]phosphonic AcidS-SerMe-ImmH phosphonateSCHEMBL13824604BDBM50438479Q27465481SSI
Data from PubChem (NCBI)
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Molecular Structure
[(3s)-4-Hydroxy-3-{[(4-Oxo-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]amino}butyl]phosphonic Acid
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Drug Network
Trials and conditions connected to [(3s)-4-Hydroxy-3-{[(4-Oxo-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]amino}butyl]phosphonic Acid
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