(2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol

C46H54O6SSi — CID 11061674

IUPAC(2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol
SMILESCOc1ccc(CO[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@](C)(O)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H]2Sc2ccccc2)cc1
InChIInChI=1S/C46H54O6SSi/c1-44(2,3)54(6,7)52-42-41(49-32-34-28-30-38(48-5)31-29-34)43(53-39-26-18-11-19-27-39)51-40(45(42,4)47)33-50-46(35-20-12-8-13-21-35,36-22-14-9-15-23-36)37-24-16-10-17-25-37/h8-31,40-43,47H,32-33H2,1-7H3/t40-,41-,42-,43+,45-/m1/s1
InChIKeyLICJIPXJECAKES-BAOYYWTHSA-N
MW763.09 g/mol
LogP10.25
Rot. Bonds14

About (2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol

(2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol (PubChem CID 11061674) has the molecular formula C46H54O6SSi and a molecular weight of 763.09 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol
PubChem CID11061674
Molecular FormulaC46H54O6SSi
Molecular Weight763.09 g/mol
Exact Mass762.34
IUPAC Name(2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol
SMILESCOc1ccc(CO[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@](C)(O)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H]2Sc2ccccc2)cc1
InChIInChI=1S/C46H54O6SSi/c1-44(2,3)54(6,7)52-42-41(49-32-34-28-30-38(48-5)31-29-34)43(53-39-26-18-11-19-27-39)51-40(45(42,4)47)33-50-46(35-20-12-8-13-21-35,36-22-14-9-15-23-36)37-24-16-10-17-25-37/h8-31,40-43,47H,32-33H2,1-7H3/t40-,41-,42-,43+,45-/m1/s1
InChIKeyLICJIPXJECAKES-BAOYYWTHSA-N
XLogP10.25
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.09
LogP ≤ 510.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol with MolForge

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Related Compounds

(2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-one
CID 10876392
(2S,3R,4S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2-methyl-6-phenylsulfanyloxan-4-ol
CID 11225595
(2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(3,5-dimethoxyphenyl)methoxy]-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-one
CID 100968232
[(2R,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-6-phenylsulfanyloxan-2-yl]methanol
CID 25137433
(3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol
CID 10897967
(3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,4-diol
CID 69329004
(2R,3R,4S,5R)-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
CID 102575527
(2S,3S,4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylic acid
CID 132933787
2-[(2R,3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(naphthalen-2-ylmethoxy)-3-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethanol
CID 102338745
tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane
CID 25150053
(2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane
CID 153310906
(2R,3S,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2-phenylsulfanyloxan-3-ol
CID 134876225

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol?
The IUPAC name of (2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol (CID 11061674) is (2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol is COc1ccc(CO[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@](C)(O)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H]2Sc2ccccc2)cc1.
What is the InChIKey of (2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol?
The InChIKey is LICJIPXJECAKES-BAOYYWTHSA-N. The full InChI is InChI=1S/C46H54O6SSi/c1-44(2,3)54(6,7)52-42-41(49-32-34-28-30-38(48-5)31-29-34)43(53-39-26-18-11-19-27-39)51-40(45(42,4)47)33-50-46(35-20-12-8-13-21-35,36-22-14-9-15-23-36)37-24-16-10-17-25-37/h8-31,40-43,47H,32-33H2,1-7H3/t40-,41-,42-,43+,45-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol?
(2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol has a molecular weight of 763.09 g/mol, XLogP of 10.25, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-methyl-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-ol is sourced from PubChem (CID 11061674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).