UC5

2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE

Created:	2006-07-26
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where UC5 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	4
Bond Count	41
Aromatic Bond Count	0

2D diagram of UC5

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE
Systematic Name (OpenEye OEToolkits)	[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]methylphosphonic acid
Formula	C₁₀ H₁₆ N₂ O₁₀ P₂
Molecular Weight	386.189
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
SMILES	CACTVS	3.341	O[CH]1C[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=O
SMILES	OpenEye OEToolkits	1.5.0	C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(CP(=O)(O)O)O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1C[C@@H](O[C@@H]1CO[P@](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(CP(=O)(O)O)O)O
InChI	InChI	1.03	InChI=1S/C10H16N2O10P2/c13-6-3-9(12-2-1-8(14)11-10(12)15)22-7(6)4-21-24(19,20)5-23(16,17)18/h1-2,6-7,9,13H,3-5H2,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
InChIKey	InChI	1.03	MYBNSHXDOWMNJH-LKEWCRSYSA-N

Related Resource References

Resource Name	Reference
PubChem	16741197

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.