1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C10H12FN2O5P — CID 118327336

IUPAC1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESC[C@@]1(F)C[C@@H](COP=O)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H12FN2O5P/c1-10(11)4-6(5-17-19-16)18-8(10)13-3-2-7(14)12-9(13)15/h2-3,6,8H,4-5H2,1H3,(H,12,14,15)/t6-,8+,10+/m0/s1
InChIKeyZSZGEPQIHLCJAD-SKWCMTHISA-N
MW290.19 g/mol
LogP0.78
Rot. Bonds4

About 1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 118327336) has the molecular formula C10H12FN2O5P and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID118327336
Molecular FormulaC10H12FN2O5P
Molecular Weight290.19 g/mol
Exact Mass290.05
IUPAC Name1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESC[C@@]1(F)C[C@@H](COP=O)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H12FN2O5P/c1-10(11)4-6(5-17-19-16)18-8(10)13-3-2-7(14)12-9(13)15/h2-3,6,8H,4-5H2,1H3,(H,12,14,15)/t6-,8+,10+/m0/s1
InChIKeyZSZGEPQIHLCJAD-SKWCMTHISA-N
XLogP0.78
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70849208
1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 123500574
1-[(2R,3S,4R,5R)-3-chloro-3-fluoro-4-hydroxy-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 134243545
propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate
CID 144592417
propyl (2S)-2-[[[(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-(phenoxymethyl)phosphoryl]amino]propanoate
CID 134275418
[(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium
CID 130462012
propan-2-yl (2S)-2-[[[(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphoryl]amino]propanoate
CID 90401232
1-[5-(ethoxymethyl)-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 91540180
1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 58455422
[5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy thiohypoiodite
CID 144807349
(2S,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4,4-difluoro-3-methyloxolane-2-carbaldehyde
CID 118594364
1-[3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 91136916

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 118327336) is 1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is C[C@@]1(F)C[C@@H](COP=O)O[C@H]1n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is ZSZGEPQIHLCJAD-SKWCMTHISA-N. The full InChI is InChI=1S/C10H12FN2O5P/c1-10(11)4-6(5-17-19-16)18-8(10)13-3-2-7(14)12-9(13)15/h2-3,6,8H,4-5H2,1H3,(H,12,14,15)/t6-,8+,10+/m0/s1.
What are the key properties of 1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 290.19 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,5S)-3-fluoro-3-methyl-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 118327336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).