MRS2768   Click here for help

GtoPdb Ligand ID: 4043

Synonyms: uridine-5'-tetraphosphate δ-phenyl ester
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 15
Hydrogen bond donors 5
Rotatable bonds 12
Topological polar surface area 298.68
Molecular weight 636.01
XLogP -2.1
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CC1C(COP(=O)(OP(=O)(OP(=O)(OP(=O)(Oc2ccccc2)O)O)O)O)OC(C1C)n1ccc(=O)[nH]c1=O
Isomeric SMILES C[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(Oc2ccccc2)O)O)O)O)O[C@H]([C@@H]1C)n1ccc(=O)[nH]c1=O
InChI InChI=1S/C17H24N2O16P4/c1-11-12(2)16(19-9-8-15(20)18-17(19)21)31-14(11)10-30-36(22,23)33-38(26,27)35-39(28,29)34-37(24,25)32-13-6-4-3-5-7-13/h3-9,11-12,14,16H,10H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,18,20,21)/t11-,12+,14+,16+/m0/s1
InChI Key ACRDMMYBLHHSSD-KLZCAUPSSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy(phenoxy)phosphoryl]oxyphosphoryl] hydrogen phosphate
Synonyms Click here for help
uridine-5'-tetraphosphate δ-phenyl ester
Database Links Click here for help
GtoPdb PubChem SID 178100867
PubChem CID 73755072
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