[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate

C14H19FN2O6S — CID 71738718

IUPAC[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC[C@H]1S[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O
InChIInChI=1S/C14H19FN2O6S/c1-7(2)5-22-14(21)23-6-10-9(18)3-11(24-10)17-4-8(15)12(19)16-13(17)20/h4,7,9-11,18H,3,5-6H2,1-2H3,(H,16,19,20)/t9-,10+,11+/m0/s1
InChIKeyHPICEBVCRLVAIH-HBNTYKKESA-N
MW362.38 g/mol
LogP0.85
Rot. Bonds5

About [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate

[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate (PubChem CID 71738718) has the molecular formula C14H19FN2O6S and a molecular weight of 362.38 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate.

Molecular Properties

Compound Name[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate
PubChem CID71738718
Molecular FormulaC14H19FN2O6S
Molecular Weight362.38 g/mol
Exact Mass362.09
IUPAC Name[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC[C@H]1S[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O
InChIInChI=1S/C14H19FN2O6S/c1-7(2)5-22-14(21)23-6-10-9(18)3-11(24-10)17-4-8(15)12(19)16-13(17)20/h4,7,9-11,18H,3,5-6H2,1-2H3,(H,16,19,20)/t9-,10+,11+/m0/s1
InChIKeyHPICEBVCRLVAIH-HBNTYKKESA-N
XLogP0.85
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate with MolForge

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Related Compounds

cyclohexyl [(2R,3S,5R)-3-cyclohexyloxycarbonyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)thiolan-2-yl]methyl carbonate
CID 71738769
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate
CID 71738574
5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]thiolan-2-yl]pyrimidine-2,4-dione
CID 175677701
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(111C)methylpyrimidine-2,4-dione
CID 53348025
[(2R,3S,5R)-5-[5-(2-bromoethenyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl 2-methylpropyl carbonate
CID 173430672
5-ethyl-1-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 67480837
5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione
CID 162705739
[(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride
CID 70544725
5-chloro-1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 10802590
5-chloro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 10588705
5-bromo-1-[(4S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 101108223
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(125I)iodopyrimidine-2,4-dione
CID 159360455

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate?
The IUPAC name of [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate (CID 71738718) is [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate.
What is the SMILES notation for [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate?
The canonical SMILES for [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate is CC(C)COC(=O)OC[C@H]1S[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O.
What is the InChIKey of [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate?
The InChIKey is HPICEBVCRLVAIH-HBNTYKKESA-N. The full InChI is InChI=1S/C14H19FN2O6S/c1-7(2)5-22-14(21)23-6-10-9(18)3-11(24-10)17-4-8(15)12(19)16-13(17)20/h4,7,9-11,18H,3,5-6H2,1-2H3,(H,16,19,20)/t9-,10+,11+/m0/s1.
What are the key properties of [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate?
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate has a molecular weight of 362.38 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate is sourced from PubChem (CID 71738718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).