5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione

C16H17FN2O5 — CID 10664574

IUPAC5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C[C@H](OCc3ccccc3)[C@@H](CO)O2)cc1F
InChIInChI=1S/C16H17FN2O5/c17-11-7-19(16(22)18-15(11)21)14-6-12(13(8-20)24-14)23-9-10-4-2-1-3-5-10/h1-5,7,12-14,20H,6,8-9H2,(H,18,21,22)/t12-,13+,14+/m0/s1
InChIKeyFFOLVUZLQQMMIP-BFHYXJOUSA-N
MW336.32 g/mol
LogP0.54
Rot. Bonds5

About 5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione

5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 10664574) has the molecular formula C16H17FN2O5 and a molecular weight of 336.32 g/mol. Its IUPAC name is 5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID10664574
Molecular FormulaC16H17FN2O5
Molecular Weight336.32 g/mol
Exact Mass336.11
IUPAC Name5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C[C@H](OCc3ccccc3)[C@@H](CO)O2)cc1F
InChIInChI=1S/C16H17FN2O5/c17-11-7-19(16(22)18-15(11)21)14-6-12(13(8-20)24-14)23-9-10-4-2-1-3-5-10/h1-5,7,12-14,20H,6,8-9H2,(H,18,21,22)/t12-,13+,14+/m0/s1
InChIKeyFFOLVUZLQQMMIP-BFHYXJOUSA-N
XLogP0.54
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione (CID 10664574) is 5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@H]2C[C@H](OCc3ccccc3)[C@@H](CO)O2)cc1F.
What is the InChIKey of 5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is FFOLVUZLQQMMIP-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H17FN2O5/c17-11-7-19(16(22)18-15(11)21)14-6-12(13(8-20)24-14)23-9-10-4-2-1-3-5-10/h1-5,7,12-14,20H,6,8-9H2,(H,18,21,22)/t12-,13+,14+/m0/s1.
What are the key properties of 5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione?
5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 336.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 10664574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).