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

C35H49FO4SSi2 — CID 134936699

IUPACtert-butyl-[[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3-methoxy-5-phenylsulfanyloxan-2-yl]methoxy]-diphenylsilane
SMILESCO[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](Sc2ccccc2)C(F)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H49FO4SSi2/c1-34(2,3)42(8,9)40-31-30(37-7)29(39-33(36)32(31)41-26-19-13-10-14-20-26)25-38-43(35(4,5)6,27-21-15-11-16-22-27)28-23-17-12-18-24-28/h10-24,29-33H,25H2,1-9H3/t29-,30-,31+,32-,33?/m1/s1
InChIKeyDVFWJTCSDMAQBI-PLLWELNYSA-N
MW641.01 g/mol
LogP7.82
Rot. Bonds10

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

tert-butyl-[[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3-methoxy-5-phenylsulfanyloxan-2-yl]methoxy]-diphenylsilane (PubChem CID 134936699) has the molecular formula C35H49FO4SSi2 and a molecular weight of 641.01 g/mol. Its IUPAC name is tert-butyl-[[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3-methoxy-5-phenylsulfanyloxan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3-methoxy-5-phenylsulfanyloxan-2-yl]methoxy]-diphenylsilane
PubChem CID134936699
Molecular FormulaC35H49FO4SSi2
Molecular Weight641.01 g/mol
Exact Mass640.29
IUPAC Nametert-butyl-[[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3-methoxy-5-phenylsulfanyloxan-2-yl]methoxy]-diphenylsilane
SMILESCO[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](Sc2ccccc2)C(F)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H49FO4SSi2/c1-34(2,3)42(8,9)40-31-30(37-7)29(39-33(36)32(31)41-26-19-13-10-14-20-26)25-38-43(35(4,5)6,27-21-15-11-16-22-27)28-23-17-12-18-24-28/h10-24,29-33H,25H2,1-9H3/t29-,30-,31+,32-,33?/m1/s1
InChIKeyDVFWJTCSDMAQBI-PLLWELNYSA-N
XLogP7.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.01
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

phenyl 6-O-(tert-butyldiphenylsilyl)-1-thio-beta-D-glucopyranoside
CID 14991429
TBDMS(-2)[TBDMS(-3)][TBDMS(-4)]Xyl(b)-SPh
CID 11410668
[(3S,4R,5S,6S)-2-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102281305
[(2S,3R,4S,5S,6S)-2-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 132575049
TBDMS(-3)[TBDPS(-6)]Man4Me(a)-SPh
CID 134876225
TBDMS(-2)[TBDMS(-3)][TBDMS(-6)]Glc4Ac-SPh
CID 134878426
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex(a)-Bes
CID 134878493
TBDMS(-3)[Et(-4)][TBDMS(-6)]2-deoxy-D-araHex(b)-Bes
CID 134882863
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex-Bes
CID 134882885
[(2R,3R,4R,6R)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134937451
[(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134937815
triethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane
CID 134946760

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3-methoxy-5-phenylsulfanyloxan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3-methoxy-5-phenylsulfanyloxan-2-yl]methoxy]-diphenylsilane (CID 134936699) is tert-butyl-[[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3-methoxy-5-phenylsulfanyloxan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3-methoxy-5-phenylsulfanyloxan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3-methoxy-5-phenylsulfanyloxan-2-yl]methoxy]-diphenylsilane is CO[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](Sc2ccccc2)C(F)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3-methoxy-5-phenylsulfanyloxan-2-yl]methoxy]-diphenylsilane?
The InChIKey is DVFWJTCSDMAQBI-PLLWELNYSA-N. The full InChI is InChI=1S/C35H49FO4SSi2/c1-34(2,3)42(8,9)40-31-30(37-7)29(39-33(36)32(31)41-26-19-13-10-14-20-26)25-38-43(35(4,5)6,27-21-15-11-16-22-27)28-23-17-12-18-24-28/h10-24,29-33H,25H2,1-9H3/t29-,30-,31+,32-,33?/m1/s1.
What are the key properties of tert-butyl-[[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3-methoxy-5-phenylsulfanyloxan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3-methoxy-5-phenylsulfanyloxan-2-yl]methoxy]-diphenylsilane has a molecular weight of 641.01 g/mol, XLogP of 7.82, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3-methoxy-5-phenylsulfanyloxan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 134936699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).