1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione

C23H41BrN2O6Si2 — CID 154501717

IUPAC1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O[C@H]1n1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C23H41BrN2O6Si2/c1-21(2,3)33(10,11)31-17-16-15(13-29-34(32-16,22(4,5)6)23(7,8)9)30-19(17)26-12-14(24)18(27)25-20(26)28/h12,15-17,19H,13H2,1-11H3,(H,25,27,28)/t15-,16-,17-,19-/m1/s1
InChIKeyZXHAKBFOOIIBHE-YWTNHNAXSA-N
MW577.67 g/mol
LogP5.04
Rot. Bonds3

About 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione

1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione (PubChem CID 154501717) has the molecular formula C23H41BrN2O6Si2 and a molecular weight of 577.67 g/mol. Its IUPAC name is 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione
PubChem CID154501717
Molecular FormulaC23H41BrN2O6Si2
Molecular Weight577.67 g/mol
Exact Mass576.17
IUPAC Name1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O[C@H]1n1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C23H41BrN2O6Si2/c1-21(2,3)33(10,11)31-17-16-15(13-29-34(32-16,22(4,5)6)23(7,8)9)30-19(17)26-12-14(24)18(27)25-20(26)28/h12,15-17,19H,13H2,1-11H3,(H,25,27,28)/t15-,16-,17-,19-/m1/s1
InChIKeyZXHAKBFOOIIBHE-YWTNHNAXSA-N
XLogP5.04
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.67
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione with MolForge

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Related Compounds

9-[(4aS,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-2-amino-1H-purin-6-one
CID 137203032
N'-[9-[(4aR,6R,7aS)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
CID 136652187
1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-(methylsulfanylmethoxy)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]pyrimidine-2,4-dione
CID 102233629
[(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
CID 154335342
[(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
CID 122403252
1-[(2R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 140704946
1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-3-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159995307
1-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione
CID 67566728
1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-bromopyrimidine-2,4-dione
CID 175677299
1-[(6aS,8R,9S,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione
CID 168748488
5-[(4aR,6S,7S,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-N,N-dibenzylpyrimidin-2-amine
CID 44518881
5-bromo-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 66760234

Frequently Asked Questions

What is the IUPAC name of 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione?
The IUPAC name of 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione (CID 154501717) is 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione?
The canonical SMILES for 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O[C@H]1n1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione?
The InChIKey is ZXHAKBFOOIIBHE-YWTNHNAXSA-N. The full InChI is InChI=1S/C23H41BrN2O6Si2/c1-21(2,3)33(10,11)31-17-16-15(13-29-34(32-16,22(4,5)6)23(7,8)9)30-19(17)26-12-14(24)18(27)25-20(26)28/h12,15-17,19H,13H2,1-11H3,(H,25,27,28)/t15-,16-,17-,19-/m1/s1.
What are the key properties of 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione?
1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione has a molecular weight of 577.67 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione is sourced from PubChem (CID 154501717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).