tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane

C25H45FO3SSi2 — CID 11318037

IUPACtert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane
SMILESC[C@@H]1O[C@@H](F)[C@@H](Sc2ccccc2)[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H45FO3SSi2/c1-18-20(28-31(9,10)23(2,3)4)25(8,29-32(11,12)24(5,6)7)21(22(26)27-18)30-19-16-14-13-15-17-19/h13-18,20-22H,1-12H3/t18-,20-,21+,22+,25+/m0/s1
InChIKeyNTLQRBIFGDITEX-PTICDVSASA-N
MW500.87 g/mol
LogP8.03
Rot. Bonds6

About tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane (PubChem CID 11318037) has the molecular formula C25H45FO3SSi2 and a molecular weight of 500.87 g/mol. Its IUPAC name is tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane
PubChem CID11318037
Molecular FormulaC25H45FO3SSi2
Molecular Weight500.87 g/mol
Exact Mass500.26
IUPAC Nametert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane
SMILESC[C@@H]1O[C@@H](F)[C@@H](Sc2ccccc2)[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H45FO3SSi2/c1-18-20(28-31(9,10)23(2,3)4)25(8,29-32(11,12)24(5,6)7)21(22(26)27-18)30-19-16-14-13-15-17-19/h13-18,20-22H,1-12H3/t18-,20-,21+,22+,25+/m0/s1
InChIKeyNTLQRBIFGDITEX-PTICDVSASA-N
XLogP8.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.87
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane (CID 11318037) is tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane is C[C@@H]1O[C@@H](F)[C@@H](Sc2ccccc2)[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is NTLQRBIFGDITEX-PTICDVSASA-N. The full InChI is InChI=1S/C25H45FO3SSi2/c1-18-20(28-31(9,10)23(2,3)4)25(8,29-32(11,12)24(5,6)7)21(22(26)27-18)30-19-16-14-13-15-17-19/h13-18,20-22H,1-12H3/t18-,20-,21+,22+,25+/m0/s1.
What are the key properties of tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 500.87 g/mol, XLogP of 8.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11318037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).