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

C57H86O9SSi3 — CID 102323985

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

[(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102323985) has the molecular formula C57H86O9SSi3 and a molecular weight of 1031.63 g/mol. Its IUPAC name is [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 102323985
• Molecular Formula: C57H86O9SSi3
• Molecular Weight: 1031.63 g/mol
• Exact Mass: 1030.53
• IUPAC Name: [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](Sc3ccccc3)O[C@@H]2COCc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C57H86O9SSi3/c1-41-47(64-68(11,12)55(2,3)4)50(65-69(13,14)56(5,6)7)51(66-70(15,16)57(8,9)10)53(61-41)63-48-46(40-58-37-42-29-21-17-22-30-42)62-54(67-45-35-27-20-28-36-45)52(60-39-44-33-25-19-26-34-44)49(48)59-38-43-31-23-18-24-32-43/h17-36,41,46-54H,37-40H2,1-16H3/t41-,46+,47-,48+,49-,50+,51+,52+,53-,54-/m0/s1
• InChIKey: TVXQWJJGVHBVSH-QOPDTMHSSA-N
• XLogP: 14.19
• TPSA: 83.07 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1031.63
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 102323985) is [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane.

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

The canonical SMILES for [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane is C[C@@H]1O[C@@H](O[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](Sc3ccccc3)O[C@@H]2COCc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.

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

The InChIKey is TVXQWJJGVHBVSH-QOPDTMHSSA-N. The full InChI is InChI=1S/C57H86O9SSi3/c1-41-47(64-68(11,12)55(2,3)4)50(65-69(13,14)56(5,6)7)51(66-70(15,16)57(8,9)10)53(61-41)63-48-46(40-58-37-42-29-21-17-22-30-42)62-54(67-45-35-27-20-28-36-45)52(60-39-44-33-25-19-26-34-44)49(48)59-38-43-31-23-18-24-32-43/h17-36,41,46-54H,37-40H2,1-16H3/t41-,46+,47-,48+,49-,50+,51+,52+,53-,54-/m0/s1.

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

[(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 1031.63 g/mol, XLogP of 14.19, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102323985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).