methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenoxy]oxane-2-carboxylate

C38H73FO8Si4 — CID 68981319

About methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenoxy]oxane-2-carboxylate

methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenoxy]oxane-2-carboxylate (PubChem CID 68981319) has the molecular formula C38H73FO8Si4 and a molecular weight of 789.34 g/mol. Its IUPAC name is methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenoxy]oxane-2-carboxylate.

Molecular Properties

• Compound Name: methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenoxy]oxane-2-carboxylate
• PubChem CID: 68981319
• Molecular Formula: C38H73FO8Si4
• Molecular Weight: 789.34 g/mol
• Exact Mass: 788.44
• IUPAC Name: methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenoxy]oxane-2-carboxylate
• SMILES: COC(=O)[C@H]1O[C@@H](Oc2ccc(CO[Si](C)(C)C(C)(C)C)cc2F)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C38H73FO8Si4/c1-35(2,3)48(14,15)42-25-26-22-23-28(27(39)24-26)43-34-32(47-51(20,21)38(10,11)12)30(46-50(18,19)37(7,8)9)29(31(44-34)33(40)41-13)45-49(16,17)36(4,5)6/h22-24,29-32,34H,25H2,1-21H3/t29-,30+,31+,32-,34-/m1/s1
• InChIKey: ZNDPOESVNNPPMG-BWMDDLPLSA-N
• XLogP: 10.80
• TPSA: 81.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.34
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenoxy]oxane-2-carboxylate?

The IUPAC name of methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenoxy]oxane-2-carboxylate (CID 68981319) is methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenoxy]oxane-2-carboxylate.

What is the SMILES notation for methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenoxy]oxane-2-carboxylate?

The canonical SMILES for methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenoxy]oxane-2-carboxylate is COC(=O)[C@H]1O[C@@H](Oc2ccc(CO[Si](C)(C)C(C)(C)C)cc2F)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenoxy]oxane-2-carboxylate?

The InChIKey is ZNDPOESVNNPPMG-BWMDDLPLSA-N. The full InChI is InChI=1S/C38H73FO8Si4/c1-35(2,3)48(14,15)42-25-26-22-23-28(27(39)24-26)43-34-32(47-51(20,21)38(10,11)12)30(46-50(18,19)37(7,8)9)29(31(44-34)33(40)41-13)45-49(16,17)36(4,5)6/h22-24,29-32,34H,25H2,1-21H3/t29-,30+,31+,32-,34-/m1/s1.

What are the key properties of methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenoxy]oxane-2-carboxylate?

methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenoxy]oxane-2-carboxylate has a molecular weight of 789.34 g/mol, XLogP of 10.80, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S,3S,4S,5R,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorophenoxy]oxane-2-carboxylate is sourced from PubChem (CID 68981319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).