[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol

C31H40O6SSi — CID 134844713

IUPAC[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol
SMILESCO[C@@H]1[C@@H](CS(=O)(=O)c2ccccc2)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]1CO
InChIInChI=1S/C31H40O6SSi/c1-31(2,3)39(25-16-10-6-11-17-25,26-18-12-7-13-19-26)36-21-20-28-27(30(35-4)29(22-32)37-28)23-38(33,34)24-14-8-5-9-15-24/h5-19,27-30,32H,20-23H2,1-4H3/t27-,28-,29+,30+/m0/s1
InChIKeyAJVFHTFNYHJIJA-VZNYXHRGSA-N
MW568.81 g/mol
LogP3.82
Rot. Bonds11

About [(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol

[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol (PubChem CID 134844713) has the molecular formula C31H40O6SSi and a molecular weight of 568.81 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol
PubChem CID134844713
Molecular FormulaC31H40O6SSi
Molecular Weight568.81 g/mol
Exact Mass568.23
IUPAC Name[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol
SMILESCO[C@@H]1[C@@H](CS(=O)(=O)c2ccccc2)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]1CO
InChIInChI=1S/C31H40O6SSi/c1-31(2,3)39(25-16-10-6-11-17-25,26-18-12-7-13-19-26)36-21-20-28-27(30(35-4)29(22-32)37-28)23-38(33,34)24-14-8-5-9-15-24/h5-19,27-30,32H,20-23H2,1-4H3/t27-,28-,29+,30+/m0/s1
InChIKeyAJVFHTFNYHJIJA-VZNYXHRGSA-N
XLogP3.82
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
(3S,5S)-7-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilyloctane-3,5-diol
CID 21681677
(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
2-[(2S,3S,4R,5S)-3-(benzenesulfonylmethyl)-5-(iodomethyl)-4-methoxyoxolan-2-yl]ethoxy-tert-butyl-diphenylsilane
CID 134844184
2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-prop-2-enyloxolan-2-yl]ethoxy-tert-butyl-diphenylsilane
CID 134844185
[(2R,3R,4S,5R)-4-(benzenesulfonylmethyl)-3-methoxy-5-prop-2-enyloxolan-2-yl]methanol
CID 134844362
[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-3-methoxy-5-prop-2-enyloxolan-2-yl]methanol
CID 134844363
(2R,3R,4R)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(phenylmethoxymethyl)oxolan-3-ol
CID 134844710
(2R,3R,4R,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(phenylmethoxymethyl)oxolan-3-ol
CID 134844711
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
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 134937816

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol?
The IUPAC name of [(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol (CID 134844713) is [(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol is CO[C@@H]1[C@@H](CS(=O)(=O)c2ccccc2)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]1CO.
What is the InChIKey of [(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol?
The InChIKey is AJVFHTFNYHJIJA-VZNYXHRGSA-N. The full InChI is InChI=1S/C31H40O6SSi/c1-31(2,3)39(25-16-10-6-11-17-25,26-18-12-7-13-19-26)36-21-20-28-27(30(35-4)29(22-32)37-28)23-38(33,34)24-14-8-5-9-15-24/h5-19,27-30,32H,20-23H2,1-4H3/t27-,28-,29+,30+/m0/s1.
What are the key properties of [(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol?
[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol has a molecular weight of 568.81 g/mol, XLogP of 3.82, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol is sourced from PubChem (CID 134844713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).