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

C12H15FN2O5 — CID 118262380

IUPAC[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate
SMILESCC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(F)[C@H]1OC(C)=O
InChIInChI=1S/C12H15FN2O5/c1-3-7-10(19-6(2)16)9(13)11(20-7)15-5-4-8(17)14-12(15)18/h4-5,7,9-11H,3H2,1-2H3,(H,14,17,18)/t7-,9?,10+,11-/m1/s1
InChIKeyPJOABTCPYLASBS-GNTIEKQASA-N
MW286.26 g/mol
LogP0.11
Rot. Bonds3

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

[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate (PubChem CID 118262380) has the molecular formula C12H15FN2O5 and a molecular weight of 286.26 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate
PubChem CID118262380
Molecular FormulaC12H15FN2O5
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate
SMILESCC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(F)[C@H]1OC(C)=O
InChIInChI=1S/C12H15FN2O5/c1-3-7-10(19-6(2)16)9(13)11(20-7)15-5-4-8(17)14-12(15)18/h4-5,7,9-11H,3H2,1-2H3,(H,14,17,18)/t7-,9?,10+,11-/m1/s1
InChIKeyPJOABTCPYLASBS-GNTIEKQASA-N
XLogP0.11
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate?
The IUPAC name of [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate (CID 118262380) is [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate?
The canonical SMILES for [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate is CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(F)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate?
The InChIKey is PJOABTCPYLASBS-GNTIEKQASA-N. The full InChI is InChI=1S/C12H15FN2O5/c1-3-7-10(19-6(2)16)9(13)11(20-7)15-5-4-8(17)14-12(15)18/h4-5,7,9-11H,3H2,1-2H3,(H,14,17,18)/t7-,9?,10+,11-/m1/s1.
What are the key properties of [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate?
[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate has a molecular weight of 286.26 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate is sourced from PubChem (CID 118262380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).