1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione

C9H9FN2O5 — CID 163773061

IUPAC1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2O/C(=C/O)[C@@H](O)[C@H]2F)c(=O)[nH]1
InChIInChI=1S/C9H9FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-3,6-8,13,15H,(H,11,14,16)/b4-3+/t6-,7-,8?/m1/s1
InChIKeyMIBQOXIEQGBQHS-NRHFUFHYSA-N
MW244.18 g/mol
LogP-0.84
Rot. Bonds1

About 1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione

1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 163773061) has the molecular formula C9H9FN2O5 and a molecular weight of 244.18 g/mol. Its IUPAC name is 1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID163773061
Molecular FormulaC9H9FN2O5
Molecular Weight244.18 g/mol
Exact Mass244.05
IUPAC Name1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2O/C(=C/O)[C@@H](O)[C@H]2F)c(=O)[nH]1
InChIInChI=1S/C9H9FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-3,6-8,13,15H,(H,11,14,16)/b4-3+/t6-,7-,8?/m1/s1
InChIKeyMIBQOXIEQGBQHS-NRHFUFHYSA-N
XLogP-0.84
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,3R,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70871082
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57259416
5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde
CID 123909297
1-[(2R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 177248429
2-[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]ethenylphosphonic acid
CID 68594152
1-[5-(aminomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 71340660
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 3007908
1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118944111
1-[(2R,3R,4R,5R)-5-(1,1-dideuterioethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 164998419
1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 121431962
1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163625739
1-[(3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118233305

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione (CID 163773061) is 1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione is O=c1ccn(C2O/C(=C/O)[C@@H](O)[C@H]2F)c(=O)[nH]1.
What is the InChIKey of 1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is MIBQOXIEQGBQHS-NRHFUFHYSA-N. The full InChI is InChI=1S/C9H9FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-3,6-8,13,15H,(H,11,14,16)/b4-3+/t6-,7-,8?/m1/s1.
What are the key properties of 1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 244.18 g/mol, XLogP of -0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R,5E)-3-fluoro-4-hydroxy-5-(hydroxymethylidene)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 163773061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).