[(2S,5R)-2-[(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane

C64H92O10SSi3 — CID 164668705

About [(2S,5R)-2-[(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane

[(2S,5R)-2-[(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 164668705) has the molecular formula C64H92O10SSi3 and a molecular weight of 1137.75 g/mol. Its IUPAC name is [(2S,5R)-2-[(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2S,5R)-2-[(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 164668705
• Molecular Formula: C64H92O10SSi3
• Molecular Weight: 1137.75 g/mol
• Exact Mass: 1136.57
• IUPAC Name: [(2S,5R)-2-[(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OC1C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(COCc2ccccc2)O[C@H]1O[C@@H]1C(COCc2ccccc2)O[C@@H](Sc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
• InChI: InChI=1S/C64H92O10SSi3/c1-62(2,3)76(10,11)72-55-53(46-66-42-48-33-23-17-24-34-48)69-60(58(74-78(14,15)64(7,8)9)57(55)73-77(12,13)63(4,5)6)71-54-52(45-65-41-47-31-21-16-22-32-47)70-61(75-51-39-29-20-30-40-51)59(68-44-50-37-27-19-28-38-50)56(54)67-43-49-35-25-18-26-36-49/h16-40,52-61H,41-46H2,1-15H3/t52?,53?,54-,55-,56?,57?,58?,59?,60+,61+/m1/s1
• InChIKey: XQZAIGFQRCLYKF-IPPKTCRBSA-N
• XLogP: 15.39
• TPSA: 92.30 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 24
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1137.75
LogP ≤ 5	15.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-2-[(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2S,5R)-2-[(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 164668705) is [(2S,5R)-2-[(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2S,5R)-2-[(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2S,5R)-2-[(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(COCc2ccccc2)O[C@H]1O[C@@H]1C(COCc2ccccc2)O[C@@H](Sc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.

What is the InChIKey of [(2S,5R)-2-[(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is XQZAIGFQRCLYKF-IPPKTCRBSA-N. The full InChI is InChI=1S/C64H92O10SSi3/c1-62(2,3)76(10,11)72-55-53(46-66-42-48-33-23-17-24-34-48)69-60(58(74-78(14,15)64(7,8)9)57(55)73-77(12,13)63(4,5)6)71-54-52(45-65-41-47-31-21-16-22-32-47)70-61(75-51-39-29-20-30-40-51)59(68-44-50-37-27-19-28-38-50)56(54)67-43-49-35-25-18-26-36-49/h16-40,52-61H,41-46H2,1-15H3/t52?,53?,54-,55-,56?,57?,58?,59?,60+,61+/m1/s1.

What are the key properties of [(2S,5R)-2-[(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?

[(2S,5R)-2-[(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 1137.75 g/mol, XLogP of 15.39, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,5R)-2-[(3R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 164668705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).