(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-methoxyhexanal

C60H118O17Si4 — CID 25223240

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-methoxyhexanal

(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-methoxyhexanal (PubChem CID 25223240) has the molecular formula C60H118O17Si4 and a molecular weight of 1223.93 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-methoxyhexanal.

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-methoxyhexanal
• PubChem CID: 25223240
• Molecular Formula: C60H118O17Si4
• Molecular Weight: 1223.93 g/mol
• Exact Mass: 1222.74
• 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-methoxyhexanal
• 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](CCC=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/C60H118O17Si4/c1-28-81(29-2,30-3)77-59(17)37-50(68-42(7)53(59)71-49-36-47(65-20)52(41(6)67-49)76-80(26,27)58(14,15)16)69-43(38-63-18)34-45-39(4)51(75-79(24,25)57(11,12)13)40(5)60(66-21,73-45)54-48(70-55(62)72-54)35-46(64-19)44(32-31-33-61)74-78(22,23)56(8,9)10/h33,39-54H,28-32,34-38H2,1-27H3/t39-,40+,41+,42-,43+,44-,45+,46-,47+,48-,49-,50-,51-,52+,53-,54+,59-,60+/m0/s1
• InChIKey: ZBCGTPONGOBKNN-ROZOMIOCSA-N
• XLogP: 13.33
• TPSA: 172.59 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 29
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1223.93
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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 (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-methoxyhexanal?

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-methoxyhexanal (CID 25223240) 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-methoxyhexanal.

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-methoxyhexanal?

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-methoxyhexanal 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](CCC=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-methoxyhexanal?

The InChIKey is ZBCGTPONGOBKNN-ROZOMIOCSA-N. The full InChI is InChI=1S/C60H118O17Si4/c1-28-81(29-2,30-3)77-59(17)37-50(68-42(7)53(59)71-49-36-47(65-20)52(41(6)67-49)76-80(26,27)58(14,15)16)69-43(38-63-18)34-45-39(4)51(75-79(24,25)57(11,12)13)40(5)60(66-21,73-45)54-48(70-55(62)72-54)35-46(64-19)44(32-31-33-61)74-78(22,23)56(8,9)10/h33,39-54H,28-32,34-38H2,1-27H3/t39-,40+,41+,42-,43+,44-,45+,46-,47+,48-,49-,50-,51-,52+,53-,54+,59-,60+/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-methoxyhexanal?

(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-methoxyhexanal has a molecular weight of 1223.93 g/mol, XLogP of 13.33, 29 rotatable bonds, 0 hydrogen bond donors, and 17 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-methoxyhexanal is sourced from PubChem (CID 25223240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).