methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxy-2-(2-methoxy-2-oxoethyl)oxane-3-carboxylate

C41H76O13Si2 — CID 10676946

About methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxy-2-(2-methoxy-2-oxoethyl)oxane-3-carboxylate

methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxy-2-(2-methoxy-2-oxoethyl)oxane-3-carboxylate (PubChem CID 10676946) has the molecular formula C41H76O13Si2 and a molecular weight of 833.22 g/mol. Its IUPAC name is methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxy-2-(2-methoxy-2-oxoethyl)oxane-3-carboxylate.

Molecular Properties

• Compound Name: methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxy-2-(2-methoxy-2-oxoethyl)oxane-3-carboxylate
• PubChem CID: 10676946
• Molecular Formula: C41H76O13Si2
• Molecular Weight: 833.22 g/mol
• Exact Mass: 832.48
• IUPAC Name: methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxy-2-(2-methoxy-2-oxoethyl)oxane-3-carboxylate
• SMILES: COC(=O)C[C@@H]1O[C@@](C[C@@H]2C[C@H]([C@@H](CC[C@@H]3C[C@H](CC=O)OC(C)(C)O3)O[Si](C)(C)C(C)(C)C)OC(C)(C)O2)(OC)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)OC
• InChI: InChI=1S/C41H76O13Si2/c1-37(2,3)55(14,15)53-30(19-18-27-22-28(20-21-42)49-39(7,8)48-27)31-23-29(50-40(9,10)51-31)25-41(47-13)26-33(54-56(16,17)38(4,5)6)35(36(44)46-12)32(52-41)24-34(43)45-11/h21,27-33,35H,18-20,22-26H2,1-17H3/t27-,28+,29+,30-,31-,32+,33+,35+,41-/m1/s1
• InChIKey: XLUFNYCADBMRMK-UPXWGEFJSA-N
• XLogP: 7.83
• TPSA: 143.51 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	833.22
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxy-2-(2-methoxy-2-oxoethyl)oxane-3-carboxylate?

The IUPAC name of methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxy-2-(2-methoxy-2-oxoethyl)oxane-3-carboxylate (CID 10676946) is methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxy-2-(2-methoxy-2-oxoethyl)oxane-3-carboxylate.

What is the SMILES notation for methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxy-2-(2-methoxy-2-oxoethyl)oxane-3-carboxylate?

The canonical SMILES for methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxy-2-(2-methoxy-2-oxoethyl)oxane-3-carboxylate is COC(=O)C[C@@H]1O[C@@](C[C@@H]2C[C@H]([C@@H](CC[C@@H]3C[C@H](CC=O)OC(C)(C)O3)O[Si](C)(C)C(C)(C)C)OC(C)(C)O2)(OC)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)OC.

What is the InChIKey of methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxy-2-(2-methoxy-2-oxoethyl)oxane-3-carboxylate?

The InChIKey is XLUFNYCADBMRMK-UPXWGEFJSA-N. The full InChI is InChI=1S/C41H76O13Si2/c1-37(2,3)55(14,15)53-30(19-18-27-22-28(20-21-42)49-39(7,8)48-27)31-23-29(50-40(9,10)51-31)25-41(47-13)26-33(54-56(16,17)38(4,5)6)35(36(44)46-12)32(52-41)24-34(43)45-11/h21,27-33,35H,18-20,22-26H2,1-17H3/t27-,28+,29+,30-,31-,32+,33+,35+,41-/m1/s1.

What are the key properties of methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxy-2-(2-methoxy-2-oxoethyl)oxane-3-carboxylate?

methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxy-2-(2-methoxy-2-oxoethyl)oxane-3-carboxylate has a molecular weight of 833.22 g/mol, XLogP of 7.83, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-2,2-dimethyl-6-(2-oxoethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxy-2-(2-methoxy-2-oxoethyl)oxane-3-carboxylate is sourced from PubChem (CID 10676946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).