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

C42H90O8Si4 — CID 139249848

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

(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-(1-hydroxy-2-methylpropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-ol (PubChem CID 139249848) has the molecular formula C42H90O8Si4 and a molecular weight of 835.52 g/mol. Its IUPAC name is (2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-(1-hydroxy-2-methylpropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-ol.

Molecular Properties

• Compound Name: (2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-(1-hydroxy-2-methylpropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-ol
• PubChem CID: 139249848
• Molecular Formula: C42H90O8Si4
• Molecular Weight: 835.52 g/mol
• Exact Mass: 834.57
• IUPAC Name: (2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-(1-hydroxy-2-methylpropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-ol
• SMILES: CC(C)[Si](OC/C=C1\C[C@@H](C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)O[C@@](O)(C(C)(C)CO)[C@H]1O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C42H90O8Si4/c1-31(2)54(32(3)4,33(5)6)47-24-23-35-27-36(48-42(44,41(14,15)29-43)38(35)50-53(21,22)40(11,12)13)28-37(46-30-45-25-26-51(16,17)18)34(7)49-52(19,20)39(8,9)10/h23,31-34,36-38,43-44H,24-30H2,1-22H3/b35-23+/t34-,36+,37-,38+,42-/m1/s1
• InChIKey: XZINHQRKWOAOQI-MSXZNCHSSA-N
• XLogP: 11.49
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.52
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	2
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 (2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-(1-hydroxy-2-methylpropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-ol?

The IUPAC name of (2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-(1-hydroxy-2-methylpropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-ol (CID 139249848) is (2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-(1-hydroxy-2-methylpropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-ol.

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

The canonical SMILES for (2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-(1-hydroxy-2-methylpropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-ol is CC(C)[Si](OC/C=C1\C[C@@H](C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)O[C@@](O)(C(C)(C)CO)[C@H]1O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.

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

The InChIKey is XZINHQRKWOAOQI-MSXZNCHSSA-N. The full InChI is InChI=1S/C42H90O8Si4/c1-31(2)54(32(3)4,33(5)6)47-24-23-35-27-36(48-42(44,41(14,15)29-43)38(35)50-53(21,22)40(11,12)13)28-37(46-30-45-25-26-51(16,17)18)34(7)49-52(19,20)39(8,9)10/h23,31-34,36-38,43-44H,24-30H2,1-22H3/b35-23+/t34-,36+,37-,38+,42-/m1/s1.

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

(2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-(1-hydroxy-2-methylpropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-ol has a molecular weight of 835.52 g/mol, XLogP of 11.49, 21 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4E,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-(1-hydroxy-2-methylpropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-2-ol is sourced from PubChem (CID 139249848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).