tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate

C19H30N2O6Si — CID 11223612

IUPACtert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate
SMILESCC(C)(C)OC(=O)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C19H30N2O6Si/c1-18(2,3)26-16(23)13-11-12(27-28(7,8)19(4,5)6)15(25-13)21-10-9-14(22)20-17(21)24/h9-12,15H,1-8H3,(H,20,22,24)/t12-,15-/m1/s1
InChIKeyPAFHTXOOYSIFRV-IUODEOHRSA-N
MW410.54 g/mol
LogP2.68
Rot. Bonds4

About tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate

tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate (PubChem CID 11223612) has the molecular formula C19H30N2O6Si and a molecular weight of 410.54 g/mol. Its IUPAC name is tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate
PubChem CID11223612
Molecular FormulaC19H30N2O6Si
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Nametert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate
SMILESCC(C)(C)OC(=O)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C19H30N2O6Si/c1-18(2,3)26-16(23)13-11-12(27-28(7,8)19(4,5)6)15(25-13)21-10-9-14(22)20-17(21)24/h9-12,15H,1-8H3,(H,20,22,24)/t12-,15-/m1/s1
InChIKeyPAFHTXOOYSIFRV-IUODEOHRSA-N
XLogP2.68
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 163397847
1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrooxepin-2-yl]pyrimidine-2,4-dione
CID 146028003
1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]oxolan-2-yl]pyrimidine-2,4-dione
CID 57337248
1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 58013896
2-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]acetic acid
CID 10525035
1-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 10719208
[(2S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 6429500
1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 123536148
(2S,3R)-3-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-prop-2-enyloxirane-2-carboxamide
CID 57337334
1-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(deuteriooxymethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;tritiomethane
CID 159009443
1-[(1S,3R,4S)-7-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
CID 157334187
1-[(2R,3R,4E,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10571270

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate (CID 11223612) is tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate is CC(C)(C)OC(=O)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate?
The InChIKey is PAFHTXOOYSIFRV-IUODEOHRSA-N. The full InChI is InChI=1S/C19H30N2O6Si/c1-18(2,3)26-16(23)13-11-12(27-28(7,8)19(4,5)6)15(25-13)21-10-9-14(22)20-17(21)24/h9-12,15H,1-8H3,(H,20,22,24)/t12-,15-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate?
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate has a molecular weight of 410.54 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,4-dioxopyrimidin-1-yl)-2,3-dihydrofuran-5-carboxylate is sourced from PubChem (CID 11223612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).