Molecules/3'-O-[(R)-{[(2r,3ar,4r,6r,6ar)-6-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-2-Hydroxy-2-Oxidotetrahydrofuro[3,4-D][1,3,2]dioxaphosphol-4-Yl]methoxy}(Hydroxy)phosphoryl]uridine 5'-(Dihydrogen Phosphate)
3'-O-[(R)-{[(2r,3ar,4r,6r,6ar)-6-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-2-Hydroxy-2-Oxidotetrahydrofuro[3,4-D][1,3,2]dioxaphosphol-4-Yl]methoxy}(Hydroxy)phosphoryl]uridine 5'-(Dihydrogen Phosphate)
[(3aR,4R,6R,6aR)-4-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
Molecular Identity
3'-O-[(R)-{[(2r,3ar,4r,6r,6ar)-6-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-2-Hydroxy-2-Oxidotetrahydrofuro[3,4-D][1,3,2]dioxaphosphol-4-Yl]methoxy}(Hydroxy)phosphoryl]uridine 5'-(Dihydrogen Phosphate)
[(3aR,4R,6R,6aR)-4-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
PubChem CID: 135566941
2D Structure
Properties
C19H24N7O18P3
Molecular Formula
731.40
Molecular Weight
g/mol
731.0391
Exact Mass
Da
-7.4
XLogP
Drug-like (Lipinski: < 5)
352
TPSA
May have limited oral absorption
8
H-Bond Donors
20
H-Bond Acceptors
1530
Complexity
SMILES
Canonical SMILES
SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C4C(C(O3)N5C=NC6=C5N=C(NC6=O)N)OP(=O)(O4)O)OIsomeric SMILES
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)OC[C@@H]3[C@@H]4[C@H]([C@@H](O3)N5C=NC6=C5N=C(NC6=O)N)OP(=O)(O4)O)OSynonyms(3)
3'-O-[(R)-{[(2r,3ar,4r,6r,6ar)-6-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-2-Hydroxy-2-Oxidotetrahydrofuro[3,4-D][1,3,2]dioxaphosphol-4-Yl]methoxy}(Hydroxy)phosphoryl]uridine 5'-(Dihydrogen Phosphate)Q27466854UCG
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Molecular Structure
3'-O-[(R)-{[(2r,3ar,4r,6r,6ar)-6-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-2-Hydroxy-2-Oxidotetrahydrofuro[3,4-D][1,3,2]dioxaphosphol-4-Yl]methoxy}(Hydroxy)phosphoryl]uridine 5'-(Dihydrogen Phosphate)
Loading structure...
Drug Network
Trials and conditions connected to 3'-O-[(R)-{[(2r,3ar,4r,6r,6ar)-6-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-2-Hydroxy-2-Oxidotetrahydrofuro[3,4-D][1,3,2]dioxaphosphol-4-Yl]methoxy}(Hydroxy)phosphoryl]uridine 5'-(Dihydrogen Phosphate)
Loading drug network...