(2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol

C32H42O3SSi — CID 11135277

IUPAC(2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol
SMILESC[C@H](CO)[C@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](Sc2ccccc2)O1
InChIInChI=1S/C32H42O3SSi/c1-25(24-33)30-22-26(23-31(35-30)36-27-14-8-5-9-15-27)20-21-34-37(32(2,3)4,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-19,25-26,30-31,33H,20-24H2,1-4H3/t25-,26-,30-,31+/m1/s1
InChIKeyKZSNAGUTOQUGKO-OSCFFGAZSA-N
MW534.84 g/mol
LogP6.50
Rot. Bonds10

About (2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol

(2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol (PubChem CID 11135277) has the molecular formula C32H42O3SSi and a molecular weight of 534.84 g/mol. Its IUPAC name is (2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol
PubChem CID11135277
Molecular FormulaC32H42O3SSi
Molecular Weight534.84 g/mol
Exact Mass534.26
IUPAC Name(2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol
SMILESC[C@H](CO)[C@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](Sc2ccccc2)O1
InChIInChI=1S/C32H42O3SSi/c1-25(24-33)30-22-26(23-31(35-30)36-27-14-8-5-9-15-27)20-21-34-37(32(2,3)4,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-19,25-26,30-31,33H,20-24H2,1-4H3/t25-,26-,30-,31+/m1/s1
InChIKeyKZSNAGUTOQUGKO-OSCFFGAZSA-N
XLogP6.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.84
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 6-O-(tert-butyldiphenylsilyl)-1-thio-beta-D-glucopyranoside
CID 14991429
(3S,5S)-7-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-5-methyl-8-trimethylsilyloctane-3,5-diol
CID 11767344
(2S)-3-[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]propane-1,2-diol
CID 132528217
[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol
CID 134844713
2-[(7R)-9-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10-oxa-1,4-dithiaspiro[4.5]decan-7-yl]ethoxy-tert-butyl-diphenylsilane
CID 134847182
TBDMS(-3)[TBDPS(-6)]Man4Me(a)-SPh
CID 134876225
tert-butyl-[(2S)-2-[(2R,5S,6R)-5-methyl-6-phenylsulfanyloxan-2-yl]butoxy]-diphenylsilane
CID 134969240
(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
CID 139261170
(2R,3S,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
CID 15384129
tert-butyl-diphenyl-[[(2R,3R,4S,5R,6S)-3,4,5-tributoxy-6-(4-methylphenyl)sulfanyloxan-2-yl]methoxy]silane
CID 173668281
(2R,4R)-1-[(2S,3R,4R,5R)-3-(benzenesulfonylmethyl)-4-methyl-5-[(2R)-2-methylbutyl]oxolan-2-yl]-5-[2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-1,3-dioxan-2-yl]-4-methyl-3-methylidenepentan-2-ol
CID 174100148
(2S)-7-[tert-butyl(diphenyl)silyl]oxy-1-(4-methylphenyl)sulfanylheptan-2-ol
CID 10005889

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol (CID 11135277) is (2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol is C[C@H](CO)[C@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](Sc2ccccc2)O1.
What is the InChIKey of (2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol?
The InChIKey is KZSNAGUTOQUGKO-OSCFFGAZSA-N. The full InChI is InChI=1S/C32H42O3SSi/c1-25(24-33)30-22-26(23-31(35-30)36-27-14-8-5-9-15-27)20-21-34-37(32(2,3)4,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-19,25-26,30-31,33H,20-24H2,1-4H3/t25-,26-,30-,31+/m1/s1.
What are the key properties of (2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol?
(2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol has a molecular weight of 534.84 g/mol, XLogP of 6.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,4R,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-phenylsulfanyloxan-2-yl]propan-1-ol is sourced from PubChem (CID 11135277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).