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

C24H43FO3SSi2 — CID 11081433

IUPACtert-butyl-[(2R,3R,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane
SMILESC[C@H]1O[C@H](F)[C@H](Sc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H43FO3SSi2/c1-17-19(27-30(8,9)23(2,3)4)20(28-31(10,11)24(5,6)7)21(22(25)26-17)29-18-15-13-12-14-16-18/h12-17,19-22H,1-11H3/t17-,19-,20+,21-,22+/m1/s1
InChIKeyYBCOYDSTYRZMOA-VOFPXKNKSA-N
MW486.84 g/mol
LogP7.64
Rot. Bonds6

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

tert-butyl-[(2R,3R,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane (PubChem CID 11081433) has the molecular formula C24H43FO3SSi2 and a molecular weight of 486.84 g/mol. Its IUPAC name is tert-butyl-[(2R,3R,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane
PubChem CID11081433
Molecular FormulaC24H43FO3SSi2
Molecular Weight486.84 g/mol
Exact Mass486.25
IUPAC Nametert-butyl-[(2R,3R,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane
SMILESC[C@H]1O[C@H](F)[C@H](Sc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H43FO3SSi2/c1-17-19(27-30(8,9)23(2,3)4)20(28-31(10,11)24(5,6)7)21(22(25)26-17)29-18-15-13-12-14-16-18/h12-17,19-22H,1-11H3/t17-,19-,20+,21-,22+/m1/s1
InChIKeyYBCOYDSTYRZMOA-VOFPXKNKSA-N
XLogP7.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.84
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

PhS(-2d)[TBDMS(-3)][TBDPS(-6)]Glc1F4Me
CID 134936699
(2S,3R,4S,5R,6R)-2-((4-fluorophenyl)thio)-3,4,5-trimethoxy-6-(methoxymethyl)tetrahydro-2H-pyran
CID 163409523
(3S,5S,6S)-4,5-dibutoxy-2-(butoxymethyl)-3-fluoro-6-phenylsulfanyloxane
CID 121339762
(3S,5S,6S)-3,5-dibutoxy-2-(butoxymethyl)-4-fluoro-6-phenylsulfanyloxane
CID 121339763
Tert-butyl-dimethyl-[[4-[3-(trifluoromethyl)phenyl]sulfanyloxan-2-yl]methoxy]silane
CID 140694044
2-[[4-[Dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-lambda4-sulfanyl]ethyl-trimethoxysilane
CID 177125332
[(3aR,4S,6S,7S,7aS)-2,2,6-trimethyl-4-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 11304434
[(4S)-2,2-dimethyl-6-phenylsulfanyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 11338853
TBDMS(-3)[TBDMS(-5)]2-deoxy-D-eryPenf-SPh
CID 11408425
TBDMS(-2)[TBDMS(-3)][TBDMS(-4)]Xyl(b)-SPh
CID 11410668
(2R,3S,4S,5S,6R)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-(phenylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 11773595
4-Methylphenyl 1-thio-2,3,4,6-tetrakis-O-(trimethylsilyl)-beta-D-glucopyranoside
CID 44195756

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane (CID 11081433) is tert-butyl-[(2R,3R,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane is C[C@H]1O[C@H](F)[C@H](Sc2ccccc2)[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 tert-butyl-[(2R,3R,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is YBCOYDSTYRZMOA-VOFPXKNKSA-N. The full InChI is InChI=1S/C24H43FO3SSi2/c1-17-19(27-30(8,9)23(2,3)4)20(28-31(10,11)24(5,6)7)21(22(25)26-17)29-18-15-13-12-14-16-18/h12-17,19-22H,1-11H3/t17-,19-,20+,21-,22+/m1/s1.
What are the key properties of tert-butyl-[(2R,3R,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3R,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 486.84 g/mol, XLogP of 7.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11081433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).