5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol

C18H30O5SSi — CID 59765769

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol
SMILESCC(C)(C)[Si](C)(C)OC1C(Sc2ccccc2)OC(CO)C(O)C1O
InChIInChI=1S/C18H30O5SSi/c1-18(2,3)25(4,5)23-16-15(21)14(20)13(11-19)22-17(16)24-12-9-7-6-8-10-12/h6-10,13-17,19-21H,11H2,1-5H3
InChIKeyYWTIBMBORDRIGK-UHFFFAOYSA-N
MW386.59 g/mol
LogP2.61
Rot. Bonds5

About 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol

5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol (PubChem CID 59765769) has the molecular formula C18H30O5SSi and a molecular weight of 386.59 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol
PubChem CID59765769
Molecular FormulaC18H30O5SSi
Molecular Weight386.59 g/mol
Exact Mass386.16
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol
SMILESCC(C)(C)[Si](C)(C)OC1C(Sc2ccccc2)OC(CO)C(O)C1O
InChIInChI=1S/C18H30O5SSi/c1-18(2,3)25(4,5)23-16-15(21)14(20)13(11-19)22-17(16)24-12-9-7-6-8-10-12/h6-10,13-17,19-21H,11H2,1-5H3
InChIKeyYWTIBMBORDRIGK-UHFFFAOYSA-N
XLogP2.61
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

phenyl thio-beta-D-galactopyranoside
CID 2802071
(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 7315241
alpha-D-Glucopyranoside, phenyl 1-thio-
CID 54171670
beta-D-Glucofuranoside, phenyl 1-thio-
CID 57147889
Phenyl beta-D-thiogalactopyranoside
CID 314404
(3S,4S,2R,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479977
(2S,3S,4S,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479994
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol
CID 46875436
(3S,6R)-2-[[4-[ditert-butyl(fluoro)silyl]phenyl]sulfanylmethyl]-6-prop-2-ynoxyoxane-3,4,5-triol
CID 138966336
Phenyl 1-thio-beta-D-xylopyranoside
CID 10466912
Phenyl 1-thio-beta-D-glucopyranoside
CID 10934592
Phenyl alpha-D-thiomannopyranoside
CID 10945584

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol (CID 59765769) is 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol is CC(C)(C)[Si](C)(C)OC1C(Sc2ccccc2)OC(CO)C(O)C1O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol?
The InChIKey is YWTIBMBORDRIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O5SSi/c1-18(2,3)25(4,5)23-16-15(21)14(20)13(11-19)22-17(16)24-12-9-7-6-8-10-12/h6-10,13-17,19-21H,11H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol?
5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol has a molecular weight of 386.59 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol is sourced from PubChem (CID 59765769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).