2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane

C38H46O6SSi — CID 134844652

IUPAC2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane
SMILESCO[C@@H]1[C@@H](CS(=O)(=O)c2ccccc2)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C38H46O6SSi/c1-38(2,3)46(32-21-13-7-14-22-32,33-23-15-8-16-24-33)43-26-25-35-34(29-45(39,40)31-19-11-6-12-20-31)37(41-4)36(44-35)28-42-27-30-17-9-5-10-18-30/h5-24,34-37H,25-29H2,1-4H3/t34-,35-,36+,37+/m0/s1
InChIKeyIMFPJSHFUCTBTE-DNMDQSTESA-N
MW658.93 g/mol
LogP6.04
Rot. Bonds14

About 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane

2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane (PubChem CID 134844652) has the molecular formula C38H46O6SSi and a molecular weight of 658.93 g/mol. Its IUPAC name is 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane
PubChem CID134844652
Molecular FormulaC38H46O6SSi
Molecular Weight658.93 g/mol
Exact Mass658.28
IUPAC Name2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane
SMILESCO[C@@H]1[C@@H](CS(=O)(=O)c2ccccc2)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C38H46O6SSi/c1-38(2,3)46(32-21-13-7-14-22-32,33-23-15-8-16-24-33)43-26-25-35-34(29-45(39,40)31-19-11-6-12-20-31)37(41-4)36(44-35)28-42-27-30-17-9-5-10-18-30/h5-24,34-37H,25-29H2,1-4H3/t34-,35-,36+,37+/m0/s1
InChIKeyIMFPJSHFUCTBTE-DNMDQSTESA-N
XLogP6.04
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.93
LogP ≤ 56.04
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

tert-butyl-[2-[(2R,3R,4R,5R)-2-(iodomethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-3-yl]ethoxy]-diphenylsilane
CID 134844367
tert-butyl-[2-[(6R)-4-methylidene-6-(phenylmethoxymethyl)oxan-2-yl]ethoxy]-diphenylsilane
CID 101170902
tert-butyl-[2-[(4S,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11214535
tert-butyl-[[(1R,3R,4R,5R,7R)-4-methyl-3-(phenylmethoxymethyl)-2,6-dioxabicyclo[3.2.1]octan-7-yl]methoxy]-diphenylsilane
CID 45379868
(2R,3S,4R,5R,6R)-2-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-1-enyl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11251211
[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11762183
(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 171122175
CID 91298006
CID 91298006
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol
CID 101473888
(3R,4S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,6-dimethoxy-5-phenylmethoxyoxan-3-ol;(3R,4S,6S)-2-ethyl-4,6-dimethoxy-5-phenylmethoxyoxan-3-ol
CID 91336528
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
tert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane
CID 102500168

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane?
The IUPAC name of 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane (CID 134844652) is 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane is CO[C@@H]1[C@@H](CS(=O)(=O)c2ccccc2)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]1COCc1ccccc1.
What is the InChIKey of 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane?
The InChIKey is IMFPJSHFUCTBTE-DNMDQSTESA-N. The full InChI is InChI=1S/C38H46O6SSi/c1-38(2,3)46(32-21-13-7-14-22-32,33-23-15-8-16-24-33)43-26-25-35-34(29-45(39,40)31-19-11-6-12-20-31)37(41-4)36(44-35)28-42-27-30-17-9-5-10-18-30/h5-24,34-37H,25-29H2,1-4H3/t34-,35-,36+,37+/m0/s1.
What are the key properties of 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane?
2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane has a molecular weight of 658.93 g/mol, XLogP of 6.04, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 134844652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).