[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-5-methoxyhexyl] acetate

C62H122O18Si4 — CID 25223239

About [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-5-methoxyhexyl] acetate

[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-5-methoxyhexyl] acetate (PubChem CID 25223239) has the molecular formula C62H122O18Si4 and a molecular weight of 1267.98 g/mol. Its IUPAC name is [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-5-methoxyhexyl] acetate.

Molecular Properties

• Compound Name: [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-5-methoxyhexyl] acetate
• PubChem CID: 25223239
• Molecular Formula: C62H122O18Si4
• Molecular Weight: 1267.98 g/mol
• Exact Mass: 1266.77
• IUPAC Name: [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-5-methoxyhexyl] acetate
• SMILES: CC[Si](CC)(CC)O[C@@]1(C)C[C@H](O[C@@H](COC)C[C@H]2O[C@@](OC)([C@@H]3OC(=O)O[C@H]3C[C@H](OC)[C@H](CCCOC(C)=O)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2C)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1
• InChI: InChI=1S/C62H122O18Si4/c1-29-84(30-2,31-3)80-61(18)38-52(71-43(7)55(61)74-51-37-49(67-21)54(42(6)70-51)79-83(27,28)60(15,16)17)72-45(39-65-19)35-47-40(4)53(78-82(25,26)59(12,13)14)41(5)62(68-22,76-47)56-50(73-57(64)75-56)36-48(66-20)46(33-32-34-69-44(8)63)77-81(23,24)58(9,10)11/h40-43,45-56H,29-39H2,1-28H3/t40-,41+,42+,43-,45+,46-,47+,48-,49+,50-,51-,52-,53-,54+,55-,56+,61-,62+/m0/s1
• InChIKey: KAKGMWUXPVKZMO-XEWNJGSXSA-N
• XLogP: 13.70
• TPSA: 181.82 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1267.98
LogP ≤ 5	13.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-5-methoxyhexyl] acetate?

The IUPAC name of [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-5-methoxyhexyl] acetate (CID 25223239) is [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-5-methoxyhexyl] acetate.

What is the SMILES notation for [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-5-methoxyhexyl] acetate?

The canonical SMILES for [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-5-methoxyhexyl] acetate is CC[Si](CC)(CC)O[C@@]1(C)C[C@H](O[C@@H](COC)C[C@H]2O[C@@](OC)([C@@H]3OC(=O)O[C@H]3C[C@H](OC)[C@H](CCCOC(C)=O)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2C)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1.

What is the InChIKey of [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-5-methoxyhexyl] acetate?

The InChIKey is KAKGMWUXPVKZMO-XEWNJGSXSA-N. The full InChI is InChI=1S/C62H122O18Si4/c1-29-84(30-2,31-3)80-61(18)38-52(71-43(7)55(61)74-51-37-49(67-21)54(42(6)70-51)79-83(27,28)60(15,16)17)72-45(39-65-19)35-47-40(4)53(78-82(25,26)59(12,13)14)41(5)62(68-22,76-47)56-50(73-57(64)75-56)36-48(66-20)46(33-32-34-69-44(8)63)77-81(23,24)58(9,10)11/h40-43,45-56H,29-39H2,1-28H3/t40-,41+,42+,43-,45+,46-,47+,48-,49+,50-,51-,52-,53-,54+,55-,56+,61-,62+/m0/s1.

What are the key properties of [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-5-methoxyhexyl] acetate?

[(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-5-methoxyhexyl] acetate has a molecular weight of 1267.98 g/mol, XLogP of 13.70, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-5-methoxyhexyl] acetate is sourced from PubChem (CID 25223239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).