[(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane

C16H26N2O5SSi — CID 166636914

IUPAC[(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2S(=O)(=O)c1ncccn1
InChIInChI=1S/C16H26N2O5SSi/c1-16(2,3)25(4,5)23-11-9-21-14-12(10-22-13(11)14)24(19,20)15-17-7-6-8-18-15/h6-8,11-14H,9-10H2,1-5H3/t11-,12+,13-,14-/m1/s1
InChIKeyXLQVDFWEUGINOH-XJFOESAGSA-N
MW386.55 g/mol
LogP1.81
Rot. Bonds4

About [(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane

[(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 166636914) has the molecular formula C16H26N2O5SSi and a molecular weight of 386.55 g/mol. Its IUPAC name is [(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID166636914
Molecular FormulaC16H26N2O5SSi
Molecular Weight386.55 g/mol
Exact Mass386.13
IUPAC Name[(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2S(=O)(=O)c1ncccn1
InChIInChI=1S/C16H26N2O5SSi/c1-16(2,3)25(4,5)23-11-9-21-14-12(10-22-13(11)14)24(19,20)15-17-7-6-8-18-15/h6-8,11-14H,9-10H2,1-5H3/t11-,12+,13-,14-/m1/s1
InChIKeyXLQVDFWEUGINOH-XJFOESAGSA-N
XLogP1.81
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane (CID 166636914) is [(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2S(=O)(=O)c1ncccn1.
What is the InChIKey of [(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is XLQVDFWEUGINOH-XJFOESAGSA-N. The full InChI is InChI=1S/C16H26N2O5SSi/c1-16(2,3)25(4,5)23-11-9-21-14-12(10-22-13(11)14)24(19,20)15-17-7-6-8-18-15/h6-8,11-14H,9-10H2,1-5H3/t11-,12+,13-,14-/m1/s1.
What are the key properties of [(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
[(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 386.55 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,6S,6aS)-6-pyrimidin-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 166636914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).