(1S)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol

C26H48O4Si3 — CID 122393355

About (1S)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol

(1S)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 122393355) has the molecular formula C26H48O4Si3 and a molecular weight of 508.92 g/mol. Its IUPAC name is (1S)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

• Compound Name: (1S)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol
• PubChem CID: 122393355
• Molecular Formula: C26H48O4Si3
• Molecular Weight: 508.92 g/mol
• Exact Mass: 508.29
• IUPAC Name: (1S)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol
• SMILES: CC(C)O[C@@H]1C=C(C#C[Si](C)(C)C)[C@H]([C@H](O)C#C[Si](C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
• InChI: InChI=1S/C26H48O4Si3/c1-20(2)29-24-18-21(14-16-31(6,7)8)25(22(27)15-17-32(9,10)11)23(30-24)19-28-33(12,13)26(3,4)5/h18,20,22-25,27H,19H2,1-13H3/t22-,23-,24+,25-/m1/s1
• InChIKey: TWJVDPPOBAPYJD-ZKGSSEMHSA-N
• XLogP: 5.82
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.92
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol?

The IUPAC name of (1S)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol (CID 122393355) is (1S)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol.

What is the SMILES notation for (1S)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol?

The canonical SMILES for (1S)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol is CC(C)O[C@@H]1C=C(C#C[Si](C)(C)C)[C@H]([C@H](O)C#C[Si](C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.

What is the InChIKey of (1S)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol?

The InChIKey is TWJVDPPOBAPYJD-ZKGSSEMHSA-N. The full InChI is InChI=1S/C26H48O4Si3/c1-20(2)29-24-18-21(14-16-31(6,7)8)25(22(27)15-17-32(9,10)11)23(30-24)19-28-33(12,13)26(3,4)5/h18,20,22-25,27H,19H2,1-13H3/t22-,23-,24+,25-/m1/s1.

What are the key properties of (1S)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol?

(1S)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 508.92 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[(2S,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-3-yl]-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 122393355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).