benzyl (3R,5S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S,6S)-6-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-2-methoxy-3-oxooxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]-7-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-9-oxo-5-triethylsilyloxydecanoate

C79H132O15Si4 — CID 11137042

About benzyl (3R,5S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S,6S)-6-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-2-methoxy-3-oxooxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]-7-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-9-oxo-5-triethylsilyloxydecanoate

benzyl (3R,5S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S,6S)-6-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-2-methoxy-3-oxooxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]-7-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-9-oxo-5-triethylsilyloxydecanoate (PubChem CID 11137042) has the molecular formula C79H132O15Si4 and a molecular weight of 1434.25 g/mol. Its IUPAC name is benzyl (3R,5S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S,6S)-6-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-2-methoxy-3-oxooxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]-7-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-9-oxo-5-triethylsilyloxydecanoate.

Molecular Properties

• Compound Name: benzyl (3R,5S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S,6S)-6-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-2-methoxy-3-oxooxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]-7-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-9-oxo-5-triethylsilyloxydecanoate
• PubChem CID: 11137042
• Molecular Formula: C79H132O15Si4
• Molecular Weight: 1434.25 g/mol
• Exact Mass: 1432.86
• IUPAC Name: benzyl (3R,5S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S,6S)-6-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-2-methoxy-3-oxooxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]-7-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-9-oxo-5-triethylsilyloxydecanoate
• SMILES: CC[Si](CC)(CC)O[C@H](C[C@H](CC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C)C[C@H](OCc1ccc(OC)cc1)C(C)(C)C(=O)C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](/C=C/C(C)(C)[C@]2(OC)O[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)OCc3ccc(OC)cc3)CCC2=O)O1
• InChI: InChI=1S/C79H132O15Si4/c1-27-98(28-2,29-3)93-67(49-68(92-96(23,24)75(8,9)10)53-73(82)88-56-58-33-31-30-32-34-58)52-72(87-55-60-37-41-62(84-19)42-38-60)78(16,17)71(81)51-65-48-66(91-95(21,22)74(5,6)7)47-63(89-65)45-46-77(14,15)79(85-20)70(80)44-43-64(90-79)50-69(94-97(25,26)76(11,12)13)57(4)86-54-59-35-39-61(83-18)40-36-59/h30-42,45-46,57,63-69,72H,27-29,43-44,47-56H2,1-26H3/b46-45+/t57-,63+,64+,65+,66-,67-,68-,69-,72+,79-/m1/s1
• InChIKey: ZJUYPGLRNYNALY-XYZRICRNSA-N
• XLogP: 19.27
• TPSA: 161.97 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 38
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1434.25
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl (3R,5S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S,6S)-6-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-2-methoxy-3-oxooxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]-7-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-9-oxo-5-triethylsilyloxydecanoate?

The IUPAC name of benzyl (3R,5S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S,6S)-6-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-2-methoxy-3-oxooxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]-7-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-9-oxo-5-triethylsilyloxydecanoate (CID 11137042) is benzyl (3R,5S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S,6S)-6-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-2-methoxy-3-oxooxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]-7-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-9-oxo-5-triethylsilyloxydecanoate.

What is the SMILES notation for benzyl (3R,5S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S,6S)-6-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-2-methoxy-3-oxooxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]-7-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-9-oxo-5-triethylsilyloxydecanoate?

The canonical SMILES for benzyl (3R,5S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S,6S)-6-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-2-methoxy-3-oxooxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]-7-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-9-oxo-5-triethylsilyloxydecanoate is CC[Si](CC)(CC)O[C@H](C[C@H](CC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C)C[C@H](OCc1ccc(OC)cc1)C(C)(C)C(=O)C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](/C=C/C(C)(C)[C@]2(OC)O[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)OCc3ccc(OC)cc3)CCC2=O)O1.

What is the InChIKey of benzyl (3R,5S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S,6S)-6-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-2-methoxy-3-oxooxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]-7-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-9-oxo-5-triethylsilyloxydecanoate?

The InChIKey is ZJUYPGLRNYNALY-XYZRICRNSA-N. The full InChI is InChI=1S/C79H132O15Si4/c1-27-98(28-2,29-3)93-67(49-68(92-96(23,24)75(8,9)10)53-73(82)88-56-58-33-31-30-32-34-58)52-72(87-55-60-37-41-62(84-19)42-38-60)78(16,17)71(81)51-65-48-66(91-95(21,22)74(5,6)7)47-63(89-65)45-46-77(14,15)79(85-20)70(80)44-43-64(90-79)50-69(94-97(25,26)76(11,12)13)57(4)86-54-59-35-39-61(83-18)40-36-59/h30-42,45-46,57,63-69,72H,27-29,43-44,47-56H2,1-26H3/b46-45+/t57-,63+,64+,65+,66-,67-,68-,69-,72+,79-/m1/s1.

What are the key properties of benzyl (3R,5S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S,6S)-6-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-2-methoxy-3-oxooxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]-7-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-9-oxo-5-triethylsilyloxydecanoate?

benzyl (3R,5S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S,6S)-6-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-2-methoxy-3-oxooxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]-7-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-9-oxo-5-triethylsilyloxydecanoate has a molecular weight of 1434.25 g/mol, XLogP of 19.27, 38 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (3R,5S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S,6S)-6-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-2-methoxy-3-oxooxan-2-yl]-3-methylbut-1-enyl]oxan-2-yl]-7-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-9-oxo-5-triethylsilyloxydecanoate is sourced from PubChem (CID 11137042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).