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

C26H23FN2O5 — CID 70458524

IUPAC5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C[C@H](OCc3ccccc3)[C@@H](COc3cccc4ccccc34)O2)cc1F
InChIInChI=1S/C26H23FN2O5/c27-20-14-29(26(31)28-25(20)30)24-13-22(32-15-17-7-2-1-3-8-17)23(34-24)16-33-21-12-6-10-18-9-4-5-11-19(18)21/h1-12,14,22-24H,13,15-16H2,(H,28,30,31)/t22-,23+,24+/m0/s1
InChIKeyKWDCIYNBMOKJRJ-RBZQAINGSA-N
MW462.48 g/mol
LogP3.78
Rot. Bonds7

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

5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 70458524) has the molecular formula C26H23FN2O5 and a molecular weight of 462.48 g/mol. Its IUPAC name is 5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID70458524
Molecular FormulaC26H23FN2O5
Molecular Weight462.48 g/mol
Exact Mass462.16
IUPAC Name5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C[C@H](OCc3ccccc3)[C@@H](COc3cccc4ccccc34)O2)cc1F
InChIInChI=1S/C26H23FN2O5/c27-20-14-29(26(31)28-25(20)30)24-13-22(32-15-17-7-2-1-3-8-17)23(34-24)16-33-21-12-6-10-18-9-4-5-11-19(18)21/h1-12,14,22-24H,13,15-16H2,(H,28,30,31)/t22-,23+,24+/m0/s1
InChIKeyKWDCIYNBMOKJRJ-RBZQAINGSA-N
XLogP3.78
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-1-[(2R,4S,5R)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 10833622
5-fluoro-1-[(2R,4S,5R)-4-[(4-methoxyphenyl)methoxy]-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10722410
5-fluoro-1-[(2S,5S)-5-(hydroxymethyl)-4-[(4-methylphenyl)methoxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 67771904
1-[(2S,5S)-4-phenylmethoxy-5-(trityloxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 70420468
[(2R,3R,5R)-3-benzoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 59042345
diazanium;[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-phenylmethoxyoxolan-2-yl]ethyl] phosphate
CID 162744451
benzyl 2-[[[[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 155167384
5-fluoro-1-[(2R,4S,5R)-4-iodo-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 46236787
5-fluoro-1-[(2R,4S,5R)-4-(3-phenylprop-2-enoxy)-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 54362778
benzyl (2S)-2-[[[(1S)-2,2-difluoro-1-[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 170689050
[(2S,5S)-3-[(4-chloro-2-fluorophenyl)methoxy]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 70347536
[(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(furan-2-ylmethoxymethyl)oxolan-3-yl] 2-(phenylmethoxycarbonylamino)acetate
CID 67924517

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione (CID 70458524) is 5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@H]2C[C@H](OCc3ccccc3)[C@@H](COc3cccc4ccccc34)O2)cc1F.
What is the InChIKey of 5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is KWDCIYNBMOKJRJ-RBZQAINGSA-N. The full InChI is InChI=1S/C26H23FN2O5/c27-20-14-29(26(31)28-25(20)30)24-13-22(32-15-17-7-2-1-3-8-17)23(34-24)16-33-21-12-6-10-18-9-4-5-11-19(18)21/h1-12,14,22-24H,13,15-16H2,(H,28,30,31)/t22-,23+,24+/m0/s1.
What are the key properties of 5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione?
5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 462.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2R,4S,5R)-5-(naphthalen-1-yloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 70458524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).