[(2S,3R,4S,5R,6R)-3-[4-[(2S,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-3-yl]buta-1,3-diynyl]-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate

C42H58O10Si2 — CID 23257284

About [(2S,3R,4S,5R,6R)-3-[4-[(2S,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-3-yl]buta-1,3-diynyl]-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate

[(2S,3R,4S,5R,6R)-3-[4-[(2S,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-3-yl]buta-1,3-diynyl]-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate (PubChem CID 23257284) has the molecular formula C42H58O10Si2 and a molecular weight of 779.09 g/mol. Its IUPAC name is [(2S,3R,4S,5R,6R)-3-[4-[(2S,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-3-yl]buta-1,3-diynyl]-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2S,3R,4S,5R,6R)-3-[4-[(2S,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-3-yl]buta-1,3-diynyl]-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate
• PubChem CID: 23257284
• Molecular Formula: C42H58O10Si2
• Molecular Weight: 779.09 g/mol
• Exact Mass: 778.36
• IUPAC Name: [(2S,3R,4S,5R,6R)-3-[4-[(2S,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-3-yl]buta-1,3-diynyl]-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate
• SMILES: C=CCO[C@@H]1[C@@H](OCC=C)[C@H](C#CC#C[C@H]2[C@H](OCC=C)[C@@H](OCC=C)[C@@H](C#C[Si](C)(C)C)O[C@@H]2COC(C)=O)[C@@H](COC(C)=O)O[C@@H]1C#C[Si](C)(C)C
• InChI: InChI=1S/C42H58O10Si2/c1-13-23-45-39-33(37(29-49-31(5)43)51-35(21-27-53(7,8)9)41(39)47-25-15-3)19-17-18-20-34-38(30-50-32(6)44)52-36(22-28-54(10,11)12)42(48-26-16-4)40(34)46-24-14-2/h13-16,33-42H,1-4,23-26,29-30H2,5-12H3/t33-,34-,35-,36-,37-,38-,39+,40+,41+,42+/m1/s1
• InChIKey: ASXDWYISZZGVFG-HRNCCDNTSA-N
• XLogP: 4.93
• TPSA: 107.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	779.09
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R,6R)-3-[4-[(2S,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-3-yl]buta-1,3-diynyl]-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate?

The IUPAC name of [(2S,3R,4S,5R,6R)-3-[4-[(2S,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-3-yl]buta-1,3-diynyl]-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate (CID 23257284) is [(2S,3R,4S,5R,6R)-3-[4-[(2S,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-3-yl]buta-1,3-diynyl]-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate.

What is the SMILES notation for [(2S,3R,4S,5R,6R)-3-[4-[(2S,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-3-yl]buta-1,3-diynyl]-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate?

The canonical SMILES for [(2S,3R,4S,5R,6R)-3-[4-[(2S,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-3-yl]buta-1,3-diynyl]-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate is C=CCO[C@@H]1[C@@H](OCC=C)[C@H](C#CC#C[C@H]2[C@H](OCC=C)[C@@H](OCC=C)[C@@H](C#C[Si](C)(C)C)O[C@@H]2COC(C)=O)[C@@H](COC(C)=O)O[C@@H]1C#C[Si](C)(C)C.

What is the InChIKey of [(2S,3R,4S,5R,6R)-3-[4-[(2S,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-3-yl]buta-1,3-diynyl]-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate?

The InChIKey is ASXDWYISZZGVFG-HRNCCDNTSA-N. The full InChI is InChI=1S/C42H58O10Si2/c1-13-23-45-39-33(37(29-49-31(5)43)51-35(21-27-53(7,8)9)41(39)47-25-15-3)19-17-18-20-34-38(30-50-32(6)44)52-36(22-28-54(10,11)12)42(48-26-16-4)40(34)46-24-14-2/h13-16,33-42H,1-4,23-26,29-30H2,5-12H3/t33-,34-,35-,36-,37-,38-,39+,40+,41+,42+/m1/s1.

What are the key properties of [(2S,3R,4S,5R,6R)-3-[4-[(2S,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-3-yl]buta-1,3-diynyl]-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate?

[(2S,3R,4S,5R,6R)-3-[4-[(2S,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-3-yl]buta-1,3-diynyl]-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate has a molecular weight of 779.09 g/mol, XLogP of 4.93, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4S,5R,6R)-3-[4-[(2S,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-3-yl]buta-1,3-diynyl]-4,5-bis(prop-2-enoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methyl acetate is sourced from PubChem (CID 23257284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).