[(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane

C58H108O10SSi5 — CID 164668717

IUPAC[(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCCSC1OC(COCc2ccccc2)C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1OC1OC(COCc2ccccc2)C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C58H108O10SSi5/c1-27-69-53-51(49(67-73(23,24)57(11,12)13)47(65-71(19,20)55(5,6)7)45(62-53)41-60-39-43-36-32-29-33-37-43)63-52-50(68-74(25,26)58(14,15)16)48(66-72(21,22)56(8,9)10)46(64-70(17,18)54(2,3)4)44(61-52)40-59-38-42-34-30-28-31-35-42/h28-37,44-53H,27,38-41H2,1-26H3/t44?,45?,46?,47?,48-,49-,50?,51?,52?,53?/m1/s1
InChIKeyMCNJUKWCQDIPPG-JYRGVMPZSA-N
MW1137.99 g/mol
LogP15.96
Rot. Bonds22

About [(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane

[(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 164668717) has the molecular formula C58H108O10SSi5 and a molecular weight of 1137.99 g/mol. Its IUPAC name is [(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID164668717
Molecular FormulaC58H108O10SSi5
Molecular Weight1137.99 g/mol
Exact Mass1136.65
IUPAC Name[(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCCSC1OC(COCc2ccccc2)C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1OC1OC(COCc2ccccc2)C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C58H108O10SSi5/c1-27-69-53-51(49(67-73(23,24)57(11,12)13)47(65-71(19,20)55(5,6)7)45(62-53)41-60-39-43-36-32-29-33-37-43)63-52-50(68-74(25,26)58(14,15)16)48(66-72(21,22)56(8,9)10)46(64-70(17,18)54(2,3)4)44(61-52)40-59-38-42-34-30-28-31-35-42/h28-37,44-53H,27,38-41H2,1-26H3/t44?,45?,46?,47?,48-,49-,50?,51?,52?,53?/m1/s1
InChIKeyMCNJUKWCQDIPPG-JYRGVMPZSA-N
XLogP15.96
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001137.99
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze [(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

(2R,4R,4aS,6S,8aR)-4-[bis(ethylsulfanyl)methyl]-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 44588352
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S,5R,6R)-5-hydroxy-6-phenylmethoxyoxan-3-yl]sulfanyloxane-3,4,5-triol
CID 45101442
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S,5S,6R)-5-hydroxy-6-phenylmethoxyoxan-3-yl]sulfanyloxane-3,4,5-triol
CID 45101443
[3,4-Diacetoxy-6-benzyloxy-5-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-tetrahydropyran-2-yl]methyl acetate
CID 455954
2-[2-Benzyloxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]sulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CID 455955
(6-Allyloxy-3,4,5-tribenzyloxy-tetrahydropyran-2-yl)methoxy-tert-butyl-dimethyl-silane
CID 361712
2-Ethylsulfanyl-6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxane
CID 164680044
4-[Bis(propylsulfanyl)methyl]-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 434968
2,5-dideoxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenylmethylene]-L-iditol
CID 10066859
Methyl 2,3,4,-tri-O-benzyl-6-O-trimethylsilyl-alpha-D-glucopyranoside
CID 11038791
[6-[2-[[6-Pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane
CID 58627381
2-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)thian-2-yl]oxyoxane
CID 59141073

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 164668717) is [(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane is CCSC1OC(COCc2ccccc2)C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1OC1OC(COCc2ccccc2)C(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MCNJUKWCQDIPPG-JYRGVMPZSA-N. The full InChI is InChI=1S/C58H108O10SSi5/c1-27-69-53-51(49(67-73(23,24)57(11,12)13)47(65-71(19,20)55(5,6)7)45(62-53)41-60-39-43-36-32-29-33-37-43)63-52-50(68-74(25,26)58(14,15)16)48(66-72(21,22)56(8,9)10)46(64-70(17,18)54(2,3)4)44(61-52)40-59-38-42-34-30-28-31-35-42/h28-37,44-53H,27,38-41H2,1-26H3/t44?,45?,46?,47?,48-,49-,50?,51?,52?,53?/m1/s1.
What are the key properties of [(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?
[(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 1137.99 g/mol, XLogP of 15.96, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 164668717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).