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

C26H53FO6Si2 — CID 91865616

IUPACtert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
SMILESCO[C@@H]1C[C@H](O[C@@H]2[C@H](C)O[C@@H](F)C[C@@]2(C)O[Si](C)(C)C(C)(C)C)O[C@H](C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H53FO6Si2/c1-17-22(32-34(11,12)24(3,4)5)19(28-10)15-21(30-17)31-23-18(2)29-20(27)16-26(23,9)33-35(13,14)25(6,7)8/h17-23H,15-16H2,1-14H3/t17-,18+,19-,20-,21+,22-,23-,26-/m1/s1
InChIKeyUGZITNINTCZECI-HXQKQCMISA-N
MW536.87 g/mol
LogP6.80
Rot. Bonds7

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

tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane (PubChem CID 91865616) 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,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
PubChem CID91865616
Molecular FormulaC26H53FO6Si2
Molecular Weight536.87 g/mol
Exact Mass536.34
IUPAC Nametert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
SMILESCO[C@@H]1C[C@H](O[C@@H]2[C@H](C)O[C@@H](F)C[C@@]2(C)O[Si](C)(C)C(C)(C)C)O[C@H](C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H53FO6Si2/c1-17-22(32-34(11,12)24(3,4)5)19(28-10)15-21(30-17)31-23-18(2)29-20(27)16-26(23,9)33-35(13,14)25(6,7)8/h17-23H,15-16H2,1-14H3/t17-,18+,19-,20-,21+,22-,23-,26-/m1/s1
InChIKeyUGZITNINTCZECI-HXQKQCMISA-N
XLogP6.80
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.87
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6R)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 11341648
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
Tert-butyl-(3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl)oxy-dimethylsilane
CID 54491169
tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 60090931
tert-butyl-[(2S,3R,4S,5S,6R)-3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane
CID 70279467
2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane
CID 71143021
2-[[(4aR,6R,8S,8aR)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane
CID 71143022
2-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane
CID 71143369
2-[[(4aR,6R,7R,8S,8aR)-8-(ethoxymethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane
CID 89303318
[(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane
CID 167642359
2-[[(4aR,6R,7S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane
CID 173587533
(4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol
CID 11627979

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane (CID 91865616) is tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-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,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane is CO[C@@H]1C[C@H](O[C@@H]2[C@H](C)O[C@@H](F)C[C@@]2(C)O[Si](C)(C)C(C)(C)C)O[C@H](C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is UGZITNINTCZECI-HXQKQCMISA-N. The full InChI is InChI=1S/C26H53FO6Si2/c1-17-22(32-34(11,12)24(3,4)5)19(28-10)15-21(30-17)31-23-18(2)29-20(27)16-26(23,9)33-35(13,14)25(6,7)8/h17-23H,15-16H2,1-14H3/t17-,18+,19-,20-,21+,22-,23-,26-/m1/s1.
What are the key properties of tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 536.87 g/mol, XLogP of 6.80, 7 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,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 91865616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).