1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione

C17H26N2O7Si — CID 10668565

IUPAC1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]2COC(=O)C[C@@]21O
InChIInChI=1S/C17H26N2O7Si/c1-16(2,3)27(4,5)26-13-14(19-7-6-11(20)18-15(19)22)25-10-9-24-12(21)8-17(10,13)23/h6-7,10,13-14,23H,8-9H2,1-5H3,(H,18,20,22)/t10-,13+,14-,17-/m1/s1
InChIKeyHYZKIGLYGRFVBM-KEAXFYSCSA-N
MW398.49 g/mol
LogP0.50
Rot. Bonds3

About 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione

1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione (PubChem CID 10668565) has the molecular formula C17H26N2O7Si and a molecular weight of 398.49 g/mol. Its IUPAC name is 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione
PubChem CID10668565
Molecular FormulaC17H26N2O7Si
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]2COC(=O)C[C@@]21O
InChIInChI=1S/C17H26N2O7Si/c1-16(2,3)27(4,5)26-13-14(19-7-6-11(20)18-15(19)22)25-10-9-24-12(21)8-17(10,13)23/h6-7,10,13-14,23H,8-9H2,1-5H3,(H,18,20,22)/t10-,13+,14-,17-/m1/s1
InChIKeyHYZKIGLYGRFVBM-KEAXFYSCSA-N
XLogP0.50
TPSA119.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 101236673
1-[(3S,5R,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,4-dioxaspiro[2.4]heptan-5-yl]pyrimidine-2,4-dione
CID 71566881
1-[4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 123536148
1-[(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 169068521
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-[(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-[(4R,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-5-oxaspiro[2.4]heptan-4-yl]pyrimidine-2,4-dione
CID 58227020
1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70641681
1-[(2R,3R,4R,5R)-5-(aminomethyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 10719208
1-[(1R,3R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-1-ethyl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
CID 89154951
1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 157163438
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione (CID 10668565) is 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione is CC(C)(C)[Si](C)(C)O[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]2COC(=O)C[C@@]21O.
What is the InChIKey of 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione?
The InChIKey is HYZKIGLYGRFVBM-KEAXFYSCSA-N. The full InChI is InChI=1S/C17H26N2O7Si/c1-16(2,3)27(4,5)26-13-14(19-7-6-11(20)18-15(19)22)25-10-9-24-12(21)8-17(10,13)23/h6-7,10,13-14,23H,8-9H2,1-5H3,(H,18,20,22)/t10-,13+,14-,17-/m1/s1.
What are the key properties of 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione?
1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione has a molecular weight of 398.49 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 10668565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).