[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate

C15H21FN2O6S — CID 71738574

IUPAC[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate
SMILESCCC(CC)OC(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)S[C@@H]1CO
InChIInChI=1S/C15H21FN2O6S/c1-3-8(4-2)23-15(22)24-10-5-12(25-11(10)7-19)18-6-9(16)13(20)17-14(18)21/h6,8,10-12,19H,3-5,7H2,1-2H3,(H,17,20,21)/t10-,11+,12+/m0/s1
InChIKeyXANPGWTVIFFIDX-QJPTWQEYSA-N
MW376.41 g/mol
LogP1.38
Rot. Bonds6

About [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate

[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate (PubChem CID 71738574) has the molecular formula C15H21FN2O6S and a molecular weight of 376.41 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate.

Molecular Properties

Compound Name[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate
PubChem CID71738574
Molecular FormulaC15H21FN2O6S
Molecular Weight376.41 g/mol
Exact Mass376.11
IUPAC Name[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate
SMILESCCC(CC)OC(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)S[C@@H]1CO
InChIInChI=1S/C15H21FN2O6S/c1-3-8(4-2)23-15(22)24-10-5-12(25-11(10)7-19)18-6-9(16)13(20)17-14(18)21/h6,8,10-12,19H,3-5,7H2,1-2H3,(H,17,20,21)/t10-,11+,12+/m0/s1
InChIKeyXANPGWTVIFFIDX-QJPTWQEYSA-N
XLogP1.38
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-3-hydroxythiolan-2-yl]methyl 2-methylpropyl carbonate
CID 71738718
5-ethyl-1-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 67480837
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(111C)methylpyrimidine-2,4-dione
CID 53348025
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
5-chloro-1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 10802590
1-[(4S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 101108224
5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]thiolan-2-yl]pyrimidine-2,4-dione
CID 175677701
5-fluoro-1-[2-(1-hydroxybutyl)-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
CID 67910696
5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 15954537

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate?
The IUPAC name of [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate (CID 71738574) is [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate.
What is the SMILES notation for [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate?
The canonical SMILES for [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate is CCC(CC)OC(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)S[C@@H]1CO.
What is the InChIKey of [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate?
The InChIKey is XANPGWTVIFFIDX-QJPTWQEYSA-N. The full InChI is InChI=1S/C15H21FN2O6S/c1-3-8(4-2)23-15(22)24-10-5-12(25-11(10)7-19)18-6-9(16)13(20)17-14(18)21/h6,8,10-12,19H,3-5,7H2,1-2H3,(H,17,20,21)/t10-,11+,12+/m0/s1.
What are the key properties of [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate?
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate has a molecular weight of 376.41 g/mol, XLogP of 1.38, 6 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)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate is sourced from PubChem (CID 71738574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).