Molecules/[(1R,3R,4R,7S)-7-Hydroxy-3-(5-methylcytosin-1-YL)-2,5-dioxabicyclo[2.2.1]hept-1-YL]methyl dihydrogen phosphate
[(1R,3R,4R,7S)-7-Hydroxy-3-(5-methylcytosin-1-YL)-2,5-dioxabicyclo[2.2.1]hept-1-YL]methyl dihydrogen phosphate
[(1R,3R,4R,7S)-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate
Molecular Identity
[(1R,3R,4R,7S)-7-Hydroxy-3-(5-methylcytosin-1-YL)-2,5-dioxabicyclo[2.2.1]hept-1-YL]methyl dihydrogen phosphate
[(1R,3R,4R,7S)-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate
PubChem CID: 52942974
2D Structure
Properties
C11H16N3O8P
Molecular Formula
349.23
Molecular Weight
g/mol
349.0675
Exact Mass
Da
-3.8
XLogP
Drug-like (Lipinski: < 5)
164
TPSA
May have limited oral absorption
4
H-Bond Donors
8
H-Bond Acceptors
645
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CN(C(=O)N=C1N)C2C3C(C(O2)(CO3)COP(=O)(O)O)OIsomeric SMILES
SMILES: CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)OSynonyms(3)
[(1R,3R,4R,7S)-7-HYDROXY-3-(5-METHYLCYTOSIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATELCC4-amino-1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-5-methylpyrimidin-2(1H)-one
Data from PubChem (NCBI)
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Molecular Structure
[(1R,3R,4R,7S)-7-Hydroxy-3-(5-methylcytosin-1-YL)-2,5-dioxabicyclo[2.2.1]hept-1-YL]methyl dihydrogen phosphate
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Drug Network
Trials and conditions connected to [(1R,3R,4R,7S)-7-Hydroxy-3-(5-methylcytosin-1-YL)-2,5-dioxabicyclo[2.2.1]hept-1-YL]methyl dihydrogen phosphate
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