Fosdesdenosine Sipalabenamide
benzyl (2S)-2-[[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular Identity
Fosdesdenosine Sipalabenamide
benzyl (2S)-2-[[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID: 166177279
2D Structure
Properties
C26H29N6O7P
Molecular Formula
568.50
Molecular Weight
g/mol
568.1835
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
173
TPSA
May have limited oral absorption
3
H-Bond Donors
12
H-Bond Acceptors
876
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(=O)OCC1=CC=CC=C1)NP(=O)(OCC2CC(C(O2)N3C=NC4=C(N=CN=C43)N)O)OC5=CC=CC=C5Isomeric SMILES
SMILES: C[C@@H](C(=O)OCC1=CC=CC=C1)NP(=O)(OC[C@@H]2C[C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OC5=CC=CC=C5Synonyms(18)
NUC-7738Fosdesdenosine Sipalabenamide2348493-39-8Fosdesdenosina sipalabenamidaY7BFN2M72FNuc 7738orb2278564CHEMBL5277528GLXC-26589fosdesdenosine sipalabenamide [INN]T785163'-Deoxyadenosine 5'-O-phenyl-(benzoxy-L-alaninyl)-phosphateL-Alanine, N-(3'-deoxy-P-phenyl-5'-adenylyl)-, phenylmethyl esterN-(3'-Deoxy-P-phenyl-5'-adenylyl)-L-alanine phenylmethyl ester(2S)-Benzyl 2-(((((2S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Fosdesdenosine Sipalabenamide
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