[(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate

C14H16F2N2O7 — CID 170391685

IUPAC[(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OCC1(COC(C)=O)C[C@H](F)[C@H](n2cc(F)c(=O)[nH]c2=O)O1
InChIInChI=1S/C14H16F2N2O7/c1-7(19)23-5-14(6-24-8(2)20)3-9(15)12(25-14)18-4-10(16)11(21)17-13(18)22/h4,9,12H,3,5-6H2,1-2H3,(H,17,21,22)/t9-,12+/m0/s1
InChIKeyFDUFCGIMGMVQOW-JOYOIKCWSA-N
MW362.29 g/mol
LogP-0.20
Rot. Bonds5

About [(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate

[(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate (PubChem CID 170391685) has the molecular formula C14H16F2N2O7 and a molecular weight of 362.29 g/mol. Its IUPAC name is [(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
PubChem CID170391685
Molecular FormulaC14H16F2N2O7
Molecular Weight362.29 g/mol
Exact Mass362.09
IUPAC Name[(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OCC1(COC(C)=O)C[C@H](F)[C@H](n2cc(F)c(=O)[nH]c2=O)O1
InChIInChI=1S/C14H16F2N2O7/c1-7(19)23-5-14(6-24-8(2)20)3-9(15)12(25-14)18-4-10(16)11(21)17-13(18)22/h4,9,12H,3,5-6H2,1-2H3,(H,17,21,22)/t9-,12+/m0/s1
InChIKeyFDUFCGIMGMVQOW-JOYOIKCWSA-N
XLogP-0.20
TPSA116.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate with MolForge

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Related Compounds

[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 14530807
[(1S,3R,3aR,7aS)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-yl]methyl acetate
CID 25268665
[(2R,3S,5R)-3-acetyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-2-yl]methyl acetate
CID 138526683
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 174150744
5-fluoro-1-[(2R,3S,4R,5S)-3-fluoro-5-(fluoromethyl)-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 170387842
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]methyl acetate
CID 123750078
1-(3,4-dihydroxy-5,5-dimethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 20605137
[(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate
CID 170172269
4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 169190520
1-[(4R,6R,6aS)-2,2-diethyl-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoropyrimidine-2,4-dione
CID 118444761
(2R,3R,4S,5R)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile
CID 175677764
1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-methoxy-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 174114381

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate?
The IUPAC name of [(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate (CID 170391685) is [(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate.
What is the SMILES notation for [(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate?
The canonical SMILES for [(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate is CC(=O)OCC1(COC(C)=O)C[C@H](F)[C@H](n2cc(F)c(=O)[nH]c2=O)O1.
What is the InChIKey of [(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate?
The InChIKey is FDUFCGIMGMVQOW-JOYOIKCWSA-N. The full InChI is InChI=1S/C14H16F2N2O7/c1-7(19)23-5-14(6-24-8(2)20)3-9(15)12(25-14)18-4-10(16)11(21)17-13(18)22/h4,9,12H,3,5-6H2,1-2H3,(H,17,21,22)/t9-,12+/m0/s1.
What are the key properties of [(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate?
[(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate has a molecular weight of 362.29 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate is sourced from PubChem (CID 170391685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).