[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate

C15H19FN2O6 — CID 172580921

IUPAC[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate
SMILESO=C(OC[C@]1(F)CC[C@H](n2ccc(=O)[nH]c2=O)O1)C1CCOCC1
InChIInChI=1S/C15H19FN2O6/c16-15(9-23-13(20)10-3-7-22-8-4-10)5-1-12(24-15)18-6-2-11(19)17-14(18)21/h2,6,10,12H,1,3-5,7-9H2,(H,17,19,21)/t12-,15+/m1/s1
InChIKeyKBQTWDVVPNMOHJ-DOMZBBRYSA-N
MW342.32 g/mol
LogP0.48
Rot. Bonds4

About [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate

[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate (PubChem CID 172580921) has the molecular formula C15H19FN2O6 and a molecular weight of 342.32 g/mol. Its IUPAC name is [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate.

Molecular Properties

Compound Name[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate
PubChem CID172580921
Molecular FormulaC15H19FN2O6
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate
SMILESO=C(OC[C@]1(F)CC[C@H](n2ccc(=O)[nH]c2=O)O1)C1CCOCC1
InChIInChI=1S/C15H19FN2O6/c16-15(9-23-13(20)10-3-7-22-8-4-10)5-1-12(24-15)18-6-2-11(19)17-14(18)21/h2,6,10,12H,1,3-5,7-9H2,(H,17,19,21)/t12-,15+/m1/s1
InChIKeyKBQTWDVVPNMOHJ-DOMZBBRYSA-N
XLogP0.48
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate?
The IUPAC name of [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate (CID 172580921) is [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate.
What is the SMILES notation for [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate?
The canonical SMILES for [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate is O=C(OC[C@]1(F)CC[C@H](n2ccc(=O)[nH]c2=O)O1)C1CCOCC1.
What is the InChIKey of [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate?
The InChIKey is KBQTWDVVPNMOHJ-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H19FN2O6/c16-15(9-23-13(20)10-3-7-22-8-4-10)5-1-12(24-15)18-6-2-11(19)17-14(18)21/h2,6,10,12H,1,3-5,7-9H2,(H,17,19,21)/t12-,15+/m1/s1.
What are the key properties of [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate?
[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate has a molecular weight of 342.32 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluorooxolan-2-yl]methyl oxane-4-carboxylate is sourced from PubChem (CID 172580921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).