2-[(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-2-methylpropan-1-ol

C43H92O8Si4 — CID 139249847

About 2-[(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-2-methylpropan-1-ol

2-[(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-2-methylpropan-1-ol (PubChem CID 139249847) has the molecular formula C43H92O8Si4 and a molecular weight of 849.54 g/mol. Its IUPAC name is 2-[(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-2-methylpropan-1-ol.

Molecular Properties

• Compound Name: 2-[(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-2-methylpropan-1-ol
• PubChem CID: 139249847
• Molecular Formula: C43H92O8Si4
• Molecular Weight: 849.54 g/mol
• Exact Mass: 848.59
• IUPAC Name: 2-[(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-2-methylpropan-1-ol
• SMILES: CO[C@@]1(C(C)(C)CO)O[C@H](C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)C/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C43H92O8Si4/c1-32(2)55(33(3)4,34(5)6)48-25-24-36-28-37(49-43(45-16,42(14,15)30-44)39(36)51-54(22,23)41(11,12)13)29-38(47-31-46-26-27-52(17,18)19)35(7)50-53(20,21)40(8,9)10/h24,32-35,37-39,44H,25-31H2,1-23H3/b36-24+/t35-,37+,38-,39+,43-/m1/s1
• InChIKey: PCWOEYXBIYKWTG-CAKFLVPOSA-N
• XLogP: 12.14
• TPSA: 84.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.54
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-2-methylpropan-1-ol?

The IUPAC name of 2-[(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-2-methylpropan-1-ol (CID 139249847) is 2-[(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-2-methylpropan-1-ol.

What is the SMILES notation for 2-[(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-2-methylpropan-1-ol?

The canonical SMILES for 2-[(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-2-methylpropan-1-ol is CO[C@@]1(C(C)(C)CO)O[C@H](C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)C/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 2-[(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-2-methylpropan-1-ol?

The InChIKey is PCWOEYXBIYKWTG-CAKFLVPOSA-N. The full InChI is InChI=1S/C43H92O8Si4/c1-32(2)55(33(3)4,34(5)6)48-25-24-36-28-37(49-43(45-16,42(14,15)30-44)39(36)51-54(22,23)41(11,12)13)29-38(47-31-46-26-27-52(17,18)19)35(7)50-53(20,21)40(8,9)10/h24,32-35,37-39,44H,25-31H2,1-23H3/b36-24+/t35-,37+,38-,39+,43-/m1/s1.

What are the key properties of 2-[(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-2-methylpropan-1-ol?

2-[(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-2-methylpropan-1-ol has a molecular weight of 849.54 g/mol, XLogP of 12.14, 22 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 139249847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).