tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane

C26H53FO6Si2 — CID 11421312

About tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane (PubChem CID 11421312) has the molecular formula C26H53FO6Si2 and a molecular weight of 536.87 g/mol. Its IUPAC name is tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
• PubChem CID: 11421312
• Molecular Formula: C26H53FO6Si2
• Molecular Weight: 536.87 g/mol
• Exact Mass: 536.34
• IUPAC Name: tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
• SMILES: CC[Si](CC)(CC)O[C@@]1(C)C[C@H](F)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1
• InChI: InChI=1S/C26H53FO6Si2/c1-13-35(14-2,15-3)33-26(9)17-21(27)29-19(5)24(26)31-22-16-20(28-10)23(18(4)30-22)32-34(11,12)25(6,7)8/h18-24H,13-17H2,1-12H3/t18-,19+,20-,21-,22+,23-,24+,26+/m1/s1
• InChIKey: IEGQVZOVVWWHFG-FAKSQXSBSA-N
• XLogP: 6.80
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.87
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
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 tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane (CID 11421312) is tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane is CC[Si](CC)(CC)O[C@@]1(C)C[C@H](F)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1.

What is the InChIKey of tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane?

The InChIKey is IEGQVZOVVWWHFG-FAKSQXSBSA-N. The full InChI is InChI=1S/C26H53FO6Si2/c1-13-35(14-2,15-3)33-26(9)17-21(27)29-19(5)24(26)31-22-16-20(28-10)23(18(4)30-22)32-34(11,12)25(6,7)8/h18-24H,13-17H2,1-12H3/t18-,19+,20-,21-,22+,23-,24+,26+/m1/s1.

What are the key properties of tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane?

tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 536.87 g/mol, XLogP of 6.80, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11421312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).