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
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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
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
Specialist databases
GPCRdb Ligand MRS2768
Other databases
GtoPdb PubChem SID 178100867
PubChem CID 73755072
Search Google for chemical match using the InChIKey ACRDMMYBLHHSSD-KLZCAUPSSA-N
Search Google for chemicals with the same backbone ACRDMMYBLHHSSD
UniChem Compound Search for chemical match using the InChIKey ACRDMMYBLHHSSD-KLZCAUPSSA-N
UniChem Connectivity Search for chemical match using the InChIKey ACRDMMYBLHHSSD-KLZCAUPSSA-N