[(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate

C15H20N2O8 — CID 67459679

IUPAC[(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate
SMILESCCc1cn([C@@H]2O[C@H](COC(=O)OC)C[C@H]2OC(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N2O8/c1-4-9-6-17(14(20)16-12(9)19)13-11(24-8(2)18)5-10(25-13)7-23-15(21)22-3/h6,10-11,13H,4-5,7H2,1-3H3,(H,16,19,20)/t10-,11+,13+/m0/s1
InChIKeySBPYSYVMPPHJFN-DMDPSCGWSA-N
MW356.33 g/mol
LogP0.10
Rot. Bonds5

About [(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate

[(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate (PubChem CID 67459679) has the molecular formula C15H20N2O8 and a molecular weight of 356.33 g/mol. Its IUPAC name is [(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate
PubChem CID67459679
Molecular FormulaC15H20N2O8
Molecular Weight356.33 g/mol
Exact Mass356.12
IUPAC Name[(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate
SMILESCCc1cn([C@@H]2O[C@H](COC(=O)OC)C[C@H]2OC(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N2O8/c1-4-9-6-17(14(20)16-12(9)19)13-11(24-8(2)18)5-10(25-13)7-23-15(21)22-3/h6,10-11,13H,4-5,7H2,1-3H3,(H,16,19,20)/t10-,11+,13+/m0/s1
InChIKeySBPYSYVMPPHJFN-DMDPSCGWSA-N
XLogP0.10
TPSA125.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate with MolForge

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Related Compounds

[(2S,4R,5R)-4-acetyloxy-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 67461363
[(2R,3R,5S)-2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate
CID 67464764
[(2S,4R,5R)-4-acetyloxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 67461244
[(2S,4R,5R)-4-acetyloxy-5-[5-(2-iodoethynyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
CID 68941707
[(1R,2S,4R)-2-acetyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate
CID 10991361
[(2R,3R,5S)-2-(4-amino-2-oxo-5-phenylpyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate
CID 67463390
[5-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 171653515
[(2R,3R,5S)-2-[5-(2-bromoethynyl)-2,4-dioxopyrimidin-1-yl]-5-(hydroxymethyl)oxolan-3-yl] acetate
CID 5279542
[(2S,4R,5R)-4-acetyloxy-5-[5-ethyl-4-[(4-methoxybenzoyl)amino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
CID 67459763
ethyl (E)-3-[(2R,3S,5R)-3-acetyloxy-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]prop-2-enoate
CID 18633467
[(2R,3R,5S)-5-(methoxycarbonyloxymethyl)-2-(6-methylsulfanylpurin-1-yl)oxolan-3-yl] acetate
CID 67463136
[(2S,4R,5R)-4-acetyloxy-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 67463807

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate?
The IUPAC name of [(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate (CID 67459679) is [(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate?
The canonical SMILES for [(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate is CCc1cn([C@@H]2O[C@H](COC(=O)OC)C[C@H]2OC(C)=O)c(=O)[nH]c1=O.
What is the InChIKey of [(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate?
The InChIKey is SBPYSYVMPPHJFN-DMDPSCGWSA-N. The full InChI is InChI=1S/C15H20N2O8/c1-4-9-6-17(14(20)16-12(9)19)13-11(24-8(2)18)5-10(25-13)7-23-15(21)22-3/h6,10-11,13H,4-5,7H2,1-3H3,(H,16,19,20)/t10-,11+,13+/m0/s1.
What are the key properties of [(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate?
[(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate has a molecular weight of 356.33 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-5-(methoxycarbonyloxymethyl)oxolan-3-yl] acetate is sourced from PubChem (CID 67459679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).