[(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane

C33H38O4SSi — CID 10030671

IUPAC[(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane
SMILESCOCO[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C33H38O4SSi/c1-34-26-35-31(32(37-39(2,3)4)38-30-23-15-8-16-24-30)25-36-33(27-17-9-5-10-18-27,28-19-11-6-12-20-28)29-21-13-7-14-22-29/h5-24,31-32H,25-26H2,1-4H3/t31-,32?/m0/s1
InChIKeyZGMZULFGBUATJJ-CYZZXXEPSA-N
MW558.82 g/mol
LogP7.95
Rot. Bonds14

About [(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane

[(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane (PubChem CID 10030671) has the molecular formula C33H38O4SSi and a molecular weight of 558.82 g/mol. Its IUPAC name is [(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane.

Molecular Properties

Compound Name[(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane
PubChem CID10030671
Molecular FormulaC33H38O4SSi
Molecular Weight558.82 g/mol
Exact Mass558.23
IUPAC Name[(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane
SMILESCOCO[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C33H38O4SSi/c1-34-26-35-31(32(37-39(2,3)4)38-30-23-15-8-16-24-30)25-36-33(27-17-9-5-10-18-27,28-19-11-6-12-20-28)29-21-13-7-14-22-29/h5-24,31-32H,25-26H2,1-4H3/t31-,32?/m0/s1
InChIKeyZGMZULFGBUATJJ-CYZZXXEPSA-N
XLogP7.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.82
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5R,6R)-3-amino-4,5-bis(methoxymethoxy)-6-[(1R,2R,3S)-1,2,3-tris(methoxymethoxy)-4-trityloxybutyl]oxan-2-ol
CID 10395169
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
(3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol
CID 11070122
(2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol
CID 67869334
[diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene
CID 90296827
(2R,3S,4S,5R)-2,5-dioctadecoxy-1,6-ditrityloxyhexane-3,4-diol
CID 88631205
(2R,3S,4S,5R)-2,5-didecoxy-1,6-ditrityloxyhexane-3,4-diol
CID 88631148
methyl 2-methoxy-3-trityloxypropanoate
CID 14162189
(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681
(2S,3R,4R)-2,3,4-trimethoxy-5-trityloxypentanal
CID 101467862
[2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene
CID 22910217
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol
CID 135015770

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane?
The IUPAC name of [(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane (CID 10030671) is [(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane.
What is the SMILES notation for [(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane?
The canonical SMILES for [(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane is COCO[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O[Si](C)(C)C)Sc1ccccc1.
What is the InChIKey of [(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane?
The InChIKey is ZGMZULFGBUATJJ-CYZZXXEPSA-N. The full InChI is InChI=1S/C33H38O4SSi/c1-34-26-35-31(32(37-39(2,3)4)38-30-23-15-8-16-24-30)25-36-33(27-17-9-5-10-18-27,28-19-11-6-12-20-28)29-21-13-7-14-22-29/h5-24,31-32H,25-26H2,1-4H3/t31-,32?/m0/s1.
What are the key properties of [(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane?
[(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane has a molecular weight of 558.82 g/mol, XLogP of 7.95, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methoxymethoxy)-1-phenylsulfanyl-3-trityloxypropoxy]-trimethylsilane is sourced from PubChem (CID 10030671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).