1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione

C14H21FN2O7S — CID 164965705

IUPAC1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(C)O[C@H]1[C@@H](F)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COCS(C)(=O)=O
InChIInChI=1S/C14H21FN2O7S/c1-8(2)23-12-9(6-22-7-25(3,20)21)24-13(11(12)15)17-5-4-10(18)16-14(17)19/h4-5,8-9,11-13H,6-7H2,1-3H3,(H,16,18,19)/t9-,11-,12-,13-/m1/s1
InChIKeyHXKDVZIPPKMUHB-OJAKKHQRSA-N
MW380.39 g/mol
LogP-0.42
Rot. Bonds7

About 1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 164965705) has the molecular formula C14H21FN2O7S and a molecular weight of 380.39 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID164965705
Molecular FormulaC14H21FN2O7S
Molecular Weight380.39 g/mol
Exact Mass380.11
IUPAC Name1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(C)O[C@H]1[C@@H](F)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COCS(C)(=O)=O
InChIInChI=1S/C14H21FN2O7S/c1-8(2)23-12-9(6-22-7-25(3,20)21)24-13(11(12)15)17-5-4-10(18)16-14(17)19/h4-5,8-9,11-13H,6-7H2,1-3H3,(H,16,18,19)/t9-,11-,12-,13-/m1/s1
InChIKeyHXKDVZIPPKMUHB-OJAKKHQRSA-N
XLogP-0.42
TPSA116.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2R,5R)-5-ethyl-3-methoxy-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174076442
1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide
CID 167095243
2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide
CID 164788422
1-[(2R,3R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 174010647
1-[(2R,3R,4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 165061315
1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 118461488
1-[(2R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 177248429
1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163625739
1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-4-[(2-sulfanyl-1,3,2-dithiaphospholan-2-ium-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 174057066
1-[(2R,3R,4R,5R)-5-(1,1-dideuterioethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 164998419
[(2R,3S,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-fluoro-5-(phosphonooxymethyl)oxolan-3-yl]oxy-propan-2-ylphosphinic acid
CID 118933205
1-[(2R,4S,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 159487979

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione (CID 164965705) is 1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione is CC(C)O[C@H]1[C@@H](F)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COCS(C)(=O)=O.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is HXKDVZIPPKMUHB-OJAKKHQRSA-N. The full InChI is InChI=1S/C14H21FN2O7S/c1-8(2)23-12-9(6-22-7-25(3,20)21)24-13(11(12)15)17-5-4-10(18)16-14(17)19/h4-5,8-9,11-13H,6-7H2,1-3H3,(H,16,18,19)/t9-,11-,12-,13-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 380.39 g/mol, XLogP of -0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 164965705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).