(3'-5')-Uridylyladenosine
[(1R,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl [(1R,2S,3R,5R)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentyl] hydrogen phosphate
Molecular Identity
(3'-5')-Uridylyladenosine
[(1R,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl [(1R,2S,3R,5R)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentyl] hydrogen phosphate
PubChem CID: 145459102
UpA is a member of purines and a nucleoside analogue.
2D Structure
Properties
C21H28N7O10P
Molecular Formula
569.50
Molecular Weight
g/mol
569.1635
Exact Mass
Da
-4.2
XLogP
Drug-like (Lipinski: < 5)
256
TPSA
May have limited oral absorption
7
H-Bond Donors
14
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(C(C1N2C=CC(=O)NC2=O)O)OP(=O)(O)OCC3CC(C(C3O)O)N4C=NC5=C(N=CN=C54)N)COIsomeric SMILES
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=CC(=O)NC2=O)O)OP(=O)(O)OC[C@H]3C[C@H]([C@@H]([C@@H]3O)O)N4C=NC5=C(N=CN=C54)N)COSynonyms(5)
UPA(3'-5')-UridylyladenosineSCHEMBL30514299CHEBI:165828[(1R,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl [(1R,2S,3R,5R)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentyl] hydrogen phosphate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to (3'-5')-Uridylyladenosine
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