[(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid

C17H29HgO7Si — CID 10257488

About [(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid

[(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid (PubChem CID 10257488) has the molecular formula C17H29HgO7Si and a molecular weight of 574.09 g/mol. Its IUPAC name is [(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid.

Molecular Properties

• Compound Name: [(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid
• PubChem CID: 10257488
• Molecular Formula: C17H29HgO7Si
• Molecular Weight: 574.09 g/mol
• Exact Mass: 575.14
• IUPAC Name: [(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid
• SMILES: CC(=O)O.CC(=O)O[C@H]1C[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[C@H]2C1[Hg]
• InChI: InChI=1S/C15H25O5Si.C2H4O2.Hg/c1-9(16)18-10-7-11-12(8-10)19-14(17)13(11)20-21(5,6)15(2,3)4;1-2(3)4;/h8,10-13H,7H2,1-6H3;1H3,(H,3,4);/t10-,11+,12-,13+;;/m0../s1
• InChIKey: RXYOHCNNSIDZHH-JMBNZNEYSA-N
• XLogP: 2.68
• TPSA: 99.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.09
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid?

The IUPAC name of [(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid (CID 10257488) is [(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid.

What is the SMILES notation for [(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid?

The canonical SMILES for [(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid is CC(=O)O.CC(=O)O[C@H]1C[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[C@H]2C1[Hg].

What is the InChIKey of [(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid?

The InChIKey is RXYOHCNNSIDZHH-JMBNZNEYSA-N. The full InChI is InChI=1S/C15H25O5Si.C2H4O2.Hg/c1-9(16)18-10-7-11-12(8-10)19-14(17)13(11)20-21(5,6)15(2,3)4;1-2(3)4;/h8,10-13H,7H2,1-6H3;1H3,(H,3,4);/t10-,11+,12-,13+;;/m0../s1.

What are the key properties of [(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid?

[(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid has a molecular weight of 574.09 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid is sourced from PubChem (CID 10257488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).