[(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate

C19H23F3N2O9 — CID 15451654

IUPAC[(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate
SMILESCC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@]1(COC(=O)C(C)(C)OC(C)=O)C(F)(F)F
InChIInChI=1S/C19H23F3N2O9/c1-9-7-24(16(29)23-14(9)27)13-6-12(31-10(2)25)18(33-13,19(20,21)22)8-30-15(28)17(4,5)32-11(3)26/h7,12-13H,6,8H2,1-5H3,(H,23,27,29)/t12-,13+,18+/m0/s1
InChIKeyQKMIHNZMMBVMEM-VEVIJQCQSA-N
MW480.39 g/mol
LogP0.88
Rot. Bonds6

About [(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate

[(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate (PubChem CID 15451654) has the molecular formula C19H23F3N2O9 and a molecular weight of 480.39 g/mol. Its IUPAC name is [(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate.

Molecular Properties

Compound Name[(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate
PubChem CID15451654
Molecular FormulaC19H23F3N2O9
Molecular Weight480.39 g/mol
Exact Mass480.14
IUPAC Name[(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate
SMILESCC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@]1(COC(=O)C(C)(C)OC(C)=O)C(F)(F)F
InChIInChI=1S/C19H23F3N2O9/c1-9-7-24(16(29)23-14(9)27)13-6-12(31-10(2)25)18(33-13,19(20,21)22)8-30-15(28)17(4,5)32-11(3)26/h7,12-13H,6,8H2,1-5H3,(H,23,27,29)/t12-,13+,18+/m0/s1
InChIKeyQKMIHNZMMBVMEM-VEVIJQCQSA-N
XLogP0.88
TPSA142.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate 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

[(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate
CID 170172269
[(2R,3S,5R)-3-acetyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-2-yl]methyl acetate
CID 138526683
1-[(2R,4S,5R)-5-acetyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15333771
[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 14188749
[(2R,3R,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 26236818
[(3S)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 70812678
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-propanoyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15333772
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101256369
[(2R,3S,5R)-2-[[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 14102524
[(1S,3S,5S)-5-(2,2-dimethylpropanoyloxy)-1-(fluoromethyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-methylidenecyclopentyl]methyl 2,2-dimethylpropanoate
CID 156903577
[difluoro-[(2R,3S,5R)-2-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] dihydrogen phosphate
CID 68508456
[(2R,5R)-3,4-diacetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 70861016

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate?
The IUPAC name of [(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate (CID 15451654) is [(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate.
What is the SMILES notation for [(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate?
The canonical SMILES for [(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate is CC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@]1(COC(=O)C(C)(C)OC(C)=O)C(F)(F)F.
What is the InChIKey of [(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate?
The InChIKey is QKMIHNZMMBVMEM-VEVIJQCQSA-N. The full InChI is InChI=1S/C19H23F3N2O9/c1-9-7-24(16(29)23-14(9)27)13-6-12(31-10(2)25)18(33-13,19(20,21)22)8-30-15(28)17(4,5)32-11(3)26/h7,12-13H,6,8H2,1-5H3,(H,23,27,29)/t12-,13+,18+/m0/s1.
What are the key properties of [(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate?
[(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate has a molecular weight of 480.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate is sourced from PubChem (CID 15451654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).