JW5

6-(HYDROXYMETHYL)URIDINE 5'-(DIHYDROGEN PHOSPHATE)

Created:	2007-06-29
Last modified:	2011-06-04

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1 entries where JW5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	4
Bond Count	39
Aromatic Bond Count	0

2D diagram of JW5

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Chemical Component Summary
Name	6-(HYDROXYMETHYL)URIDINE 5'-(DIHYDROGEN PHOSPHATE)
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(hydroxymethyl)-2,4-dioxo-pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₅ N₂ O₁₀ P
Molecular Weight	354.207
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(=O)N(C(=C1)CO)C2OC(C(O)C2O)COP(=O)(O)O
SMILES	CACTVS	3.341	OCC1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
SMILES	OpenEye OEToolkits	1.5.0	C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)CO
Canonical SMILES	CACTVS	3.341	OCC1=CC(=O)NC(=O)N1[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO
InChI	InChI	1.03	InChI=1S/C10H15N2O10P/c13-2-4-1-6(14)11-10(17)12(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,13,15-16H,2-3H2,(H,11,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1
InChIKey	InChI	1.03	MSQUFEPNTQRBDI-ZOQUXTDFSA-N

Related Resource References

Resource Name	Reference
PubChem	17749721

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