GPK

5-fluoro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione

Created:	2011-08-10
Last modified:	2020-07-17

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1 entries where GPK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	5
Bond Count	34
Aromatic Bond Count	0

2D diagram of GPK

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Chemical Component Summary
Name	5-fluoro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione
Synonyms	5-fluoro-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione; 5-fluoro-1-(D-glucosyl)pyrimidine-2,4(1H,3H)-dione; 5-fluoro-1-(glucosyl)pyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)	5-fluoranyl-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]pyrimidine-2,4-dione
Formula	C₁₀ H₁₃ F N₂ O₇
Molecular Weight	292.218
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC1=CN(C(=O)NC1=O)C2OC(C(O)C(O)C2O)CO
SMILES	CACTVS	3.370	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C(F)C(=O)NC2=O
SMILES	OpenEye OEToolkits	1.7.2	C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)F
Canonical SMILES	CACTVS	3.370	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F
InChI	InChI	1.03	InChI=1S/C10H13FN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/t4-,5-,6+,7-,9-/m1/s1
InChIKey	InChI	1.03	YHWGRVDTEORPPJ-XSEHCYKFSA-N

Related Resource References

Resource Name	Reference
PubChem	10708745
ChEMBL	CHEMBL4081944

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