[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate

C15H19FN2O7 — CID 90965753

IUPAC[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OC1C(CO)OC(n2ccc(=O)[nH]c2=O)C1(C)F
InChIInChI=1S/C15H19FN2O7/c1-8(20)3-4-11(22)25-12-9(7-19)24-13(15(12,2)16)18-6-5-10(21)17-14(18)23/h5-6,9,12-13,19H,3-4,7H2,1-2H3,(H,17,21,23)
InChIKeySWKKZUNPXPFJFQ-UHFFFAOYSA-N
MW358.32 g/mol
LogP-0.56
Rot. Bonds6

About [5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate

[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate (PubChem CID 90965753) has the molecular formula C15H19FN2O7 and a molecular weight of 358.32 g/mol. Its IUPAC name is [5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate.

Molecular Properties

Compound Name[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate
PubChem CID90965753
Molecular FormulaC15H19FN2O7
Molecular Weight358.32 g/mol
Exact Mass358.12
IUPAC Name[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OC1C(CO)OC(n2ccc(=O)[nH]c2=O)C1(C)F
InChIInChI=1S/C15H19FN2O7/c1-8(20)3-4-11(22)25-12-9(7-19)24-13(15(12,2)16)18-6-5-10(21)17-14(18)23/h5-6,9,12-13,19H,3-4,7H2,1-2H3,(H,17,21,23)
InChIKeySWKKZUNPXPFJFQ-UHFFFAOYSA-N
XLogP-0.56
TPSA127.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 2-methylpropanoate
CID 172874314
[(3R,4R)-3-(2-chloroacetyl)oxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methyl 2-chloroacetate
CID 145071286
1-[(2R,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-4-prop-2-enoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 122579815
1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 58455422
1-[(2R,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 122573474
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-(3-methoxypropanoyl)oxolan-3-yl] 3-methoxypropanoate
CID 142704639
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] 4-oxopentanoate
CID 90208367
[(3R,4R,5R)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
CID 126657092
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-(trideuterio(113C)methyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 58463518
1-[(2R,4R,5R)-3,3-dibromo-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 126618154
1-[(2R,3S,5R)-3-bromo-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 130322404
1-[(2R,4R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 129150342

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate?
The IUPAC name of [5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate (CID 90965753) is [5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate.
What is the SMILES notation for [5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate?
The canonical SMILES for [5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate is CC(=O)CCC(=O)OC1C(CO)OC(n2ccc(=O)[nH]c2=O)C1(C)F.
What is the InChIKey of [5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate?
The InChIKey is SWKKZUNPXPFJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O7/c1-8(20)3-4-11(22)25-12-9(7-19)24-13(15(12,2)16)18-6-5-10(21)17-14(18)23/h5-6,9,12-13,19H,3-4,7H2,1-2H3,(H,17,21,23).
What are the key properties of [5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate?
[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate has a molecular weight of 358.32 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl] 4-oxopentanoate is sourced from PubChem (CID 90965753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).