tert-butyl (4R,5R,6S,7S,10S)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7-dimethyl-11-phenylmethoxy-4-triethylsilyloxyundecanoate

C43H74O8SSi2 — CID 134877868

About tert-butyl (4R,5R,6S,7S,10S)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7-dimethyl-11-phenylmethoxy-4-triethylsilyloxyundecanoate

tert-butyl (4R,5R,6S,7S,10S)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7-dimethyl-11-phenylmethoxy-4-triethylsilyloxyundecanoate (PubChem CID 134877868) has the molecular formula C43H74O8SSi2 and a molecular weight of 807.30 g/mol. Its IUPAC name is tert-butyl (4R,5R,6S,7S,10S)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7-dimethyl-11-phenylmethoxy-4-triethylsilyloxyundecanoate.

Molecular Properties

• Compound Name: tert-butyl (4R,5R,6S,7S,10S)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7-dimethyl-11-phenylmethoxy-4-triethylsilyloxyundecanoate
• PubChem CID: 134877868
• Molecular Formula: C43H74O8SSi2
• Molecular Weight: 807.30 g/mol
• Exact Mass: 806.46
• IUPAC Name: tert-butyl (4R,5R,6S,7S,10S)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7-dimethyl-11-phenylmethoxy-4-triethylsilyloxyundecanoate
• SMILES: CC[Si](CC)(CC)O[C@H](CCC(=O)OC(C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(C[C@@H](COCc1ccccc1)OC)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C43H74O8SSi2/c1-15-54(16-2,17-3)50-38(28-29-40(44)49-42(6,7)8)33(4)41(51-53(13,14)43(9,10)11)34(5)39(52(45,46)37-26-22-19-23-27-37)30-36(47-12)32-48-31-35-24-20-18-21-25-35/h18-27,33-34,36,38-39,41H,15-17,28-32H2,1-14H3/t33-,34-,36+,38-,39?,41+/m1/s1
• InChIKey: HBEIESPUYMJSKM-ZWFDVOCZSA-N
• XLogP: 10.63
• TPSA: 97.36 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.30
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5R,6S,7S,10S)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7-dimethyl-11-phenylmethoxy-4-triethylsilyloxyundecanoate?

The IUPAC name of tert-butyl (4R,5R,6S,7S,10S)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7-dimethyl-11-phenylmethoxy-4-triethylsilyloxyundecanoate (CID 134877868) is tert-butyl (4R,5R,6S,7S,10S)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7-dimethyl-11-phenylmethoxy-4-triethylsilyloxyundecanoate.

What is the SMILES notation for tert-butyl (4R,5R,6S,7S,10S)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7-dimethyl-11-phenylmethoxy-4-triethylsilyloxyundecanoate?

The canonical SMILES for tert-butyl (4R,5R,6S,7S,10S)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7-dimethyl-11-phenylmethoxy-4-triethylsilyloxyundecanoate is CC[Si](CC)(CC)O[C@H](CCC(=O)OC(C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(C[C@@H](COCc1ccccc1)OC)S(=O)(=O)c1ccccc1.

What is the InChIKey of tert-butyl (4R,5R,6S,7S,10S)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7-dimethyl-11-phenylmethoxy-4-triethylsilyloxyundecanoate?

The InChIKey is HBEIESPUYMJSKM-ZWFDVOCZSA-N. The full InChI is InChI=1S/C43H74O8SSi2/c1-15-54(16-2,17-3)50-38(28-29-40(44)49-42(6,7)8)33(4)41(51-53(13,14)43(9,10)11)34(5)39(52(45,46)37-26-22-19-23-27-37)30-36(47-12)32-48-31-35-24-20-18-21-25-35/h18-27,33-34,36,38-39,41H,15-17,28-32H2,1-14H3/t33-,34-,36+,38-,39?,41+/m1/s1.

What are the key properties of tert-butyl (4R,5R,6S,7S,10S)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7-dimethyl-11-phenylmethoxy-4-triethylsilyloxyundecanoate?

tert-butyl (4R,5R,6S,7S,10S)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7-dimethyl-11-phenylmethoxy-4-triethylsilyloxyundecanoate has a molecular weight of 807.30 g/mol, XLogP of 10.63, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4R,5R,6S,7S,10S)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-5,7-dimethyl-11-phenylmethoxy-4-triethylsilyloxyundecanoate is sourced from PubChem (CID 134877868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).