[(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane

C48H96O5SSi4 — CID 164668924

IUPAC[(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCC1OC(Sc2ccccc2)C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C48H96O5SSi4/c1-31(2)55(32(3)4,33(5)6)49-30-44-45(51-56(34(7)8,35(9)10)36(11)12)46(52-57(37(13)14,38(15)16)39(17)18)47(48(50-44)54-43-28-26-25-27-29-43)53-58(40(19)20,41(21)22)42(23)24/h25-29,31-42,44-48H,30H2,1-24H3/t44?,45?,46-,47?,48?/m0/s1
InChIKeyQSTNCYKZNSRFNB-NLOXVLCYSA-N
MW897.70 g/mol
LogP16.38
Rot. Bonds23

About [(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane

[(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 164668924) has the molecular formula C48H96O5SSi4 and a molecular weight of 897.70 g/mol. Its IUPAC name is [(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane
PubChem CID164668924
Molecular FormulaC48H96O5SSi4
Molecular Weight897.70 g/mol
Exact Mass896.61
IUPAC Name[(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCC1OC(Sc2ccccc2)C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C48H96O5SSi4/c1-31(2)55(32(3)4,33(5)6)49-30-44-45(51-56(34(7)8,35(9)10)36(11)12)46(52-57(37(13)14,38(15)16)39(17)18)47(48(50-44)54-43-28-26-25-27-29-43)53-58(40(19)20,41(21)22)42(23)24/h25-29,31-42,44-48H,30H2,1-24H3/t44?,45?,46-,47?,48?/m0/s1
InChIKeyQSTNCYKZNSRFNB-NLOXVLCYSA-N
XLogP16.38
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.70
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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phenyl 6-O-(tert-butyldiphenylsilyl)-1-thio-beta-D-glucopyranoside
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(3S,5S,6S)-4,5-dibutoxy-2-(butoxymethyl)-3-fluoro-6-phenylsulfanyloxane
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(3S,5S,6S)-3,5-dibutoxy-2-(butoxymethyl)-4-fluoro-6-phenylsulfanyloxane
CID 121339763
[(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
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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
(2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane
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Frequently Asked Questions

What is the IUPAC name of [(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane (CID 164668924) is [(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OCC1OC(Sc2ccccc2)C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is QSTNCYKZNSRFNB-NLOXVLCYSA-N. The full InChI is InChI=1S/C48H96O5SSi4/c1-31(2)55(32(3)4,33(5)6)49-30-44-45(51-56(34(7)8,35(9)10)36(11)12)46(52-57(37(13)14,38(15)16)39(17)18)47(48(50-44)54-43-28-26-25-27-29-43)53-58(40(19)20,41(21)22)42(23)24/h25-29,31-42,44-48H,30H2,1-24H3/t44?,45?,46-,47?,48?/m0/s1.
What are the key properties of [(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane?
[(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 897.70 g/mol, XLogP of 16.38, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-phenylsulfanyl-3,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 164668924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).