Valopicitabine
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate
Molecular Identity
Valopicitabine
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate
PubChem CID: 6918726
2D Structure
Properties
C15H24N4O6
Molecular Formula
356.37
Molecular Weight
g/mol
356.1696
Exact Mass
Da
-2
XLogP
Drug-like (Lipinski: < 5)
161
TPSA
May have limited oral absorption
4
H-Bond Donors
7
H-Bond Acceptors
607
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(C(=O)OC1C(OC(C1(C)O)N2C=CC(=NC2=O)N)CO)NIsomeric SMILES
SMILES: CC(C)[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@]1(C)O)N2C=CC(=NC2=O)N)CO)NSynonyms(20)
Valopicitabine640281-90-9valopicitabinaI2T0B5G94M2'-C-methylcytidine 3'-O-L-valinyl esterDTXSID702140112'-C-methylcytidine 3'-O-valinyl estervalopicitabinumRefChem:193605DTXCID70136502(2R,3R,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl (2S)-2-amino-3-methylbutanoateValopicitabine [INN]NM283[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoateUNII-I2T0B5G94M
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Valopicitabine
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