5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one

C8H10FN3O4S — CID 44585531

IUPAC5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
SMILESO=c1nc(NO)c(F)cn1[C@@H]1CS[C@H](CO)O1
InChIInChI=1S/C8H10FN3O4S/c9-4-1-12(8(14)10-7(4)11-15)5-3-17-6(2-13)16-5/h1,5-6,13,15H,2-3H2,(H,10,11,14)/t5-,6+/m0/s1
InChIKeyDARJJZWNGZHUAQ-NTSWFWBYSA-N
MW263.25 g/mol
LogP-0.24
Rot. Bonds3

About 5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one

5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one (PubChem CID 44585531) has the molecular formula C8H10FN3O4S and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
PubChem CID44585531
Molecular FormulaC8H10FN3O4S
Molecular Weight263.25 g/mol
Exact Mass263.04
IUPAC Name5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
SMILESO=c1nc(NO)c(F)cn1[C@@H]1CS[C@H](CO)O1
InChIInChI=1S/C8H10FN3O4S/c9-4-1-12(8(14)10-7(4)11-15)5-3-17-6(2-13)16-5/h1,5-6,13,15H,2-3H2,(H,10,11,14)/t5-,6+/m0/s1
InChIKeyDARJJZWNGZHUAQ-NTSWFWBYSA-N
XLogP-0.24
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one?
The IUPAC name of 5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one (CID 44585531) is 5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one?
The canonical SMILES for 5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one is O=c1nc(NO)c(F)cn1[C@@H]1CS[C@H](CO)O1.
What is the InChIKey of 5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one?
The InChIKey is DARJJZWNGZHUAQ-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H10FN3O4S/c9-4-1-12(8(14)10-7(4)11-15)5-3-17-6(2-13)16-5/h1,5-6,13,15H,2-3H2,(H,10,11,14)/t5-,6+/m0/s1.
What are the key properties of 5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one?
5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one has a molecular weight of 263.25 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(hydroxyamino)-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one is sourced from PubChem (CID 44585531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).