YC6

1-(2-deoxy-alpha-D-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione

Created:	2023-11-30
Last modified:	2025-05-07

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1 entries where YC6 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	3
Bond Count	31
Aromatic Bond Count	0

2D diagram of YC6

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Chemical Component Summary
Name	1-(2-deoxy-alpha-D-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)	1-[(2~{S},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidine-5-carbaldehyde
Formula	C₁₀ H₁₂ N₂ O₆
Molecular Weight	256.212
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=CC1=CN(C(=O)NC1=O)C1CC(O)C(CO)O1
SMILES	CACTVS	3.385	OC[CH]1O[CH](C[CH]1O)N2C=C(C=O)C(=O)NC2=O
SMILES	OpenEye OEToolkits	2.0.7	C1C(C(OC1N2C=C(C(=O)NC2=O)C=O)CO)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@@H](C[C@@H]1O)N2C=C(C=O)C(=O)NC2=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)C=O)CO)O
InChI	InChI	1.06	InChI=1S/C10H12N2O6/c13-3-5-2-12(10(17)11-9(5)16)8-1-6(15)7(4-14)18-8/h2-3,6-8,14-15H,1,4H2,(H,11,16,17)/t6-,7+,8-/m0/s1
InChIKey	InChI	1.06	MVORBLZUGBSUNB-RNJXMRFFSA-N

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.