ethyl (3R)-4-[(2R,4S,6S)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-4-hydroxyoxan-2-yl]-3-trimethylsilyloxybutanoate

C42H62O8Si2 — CID 131733241

About ethyl (3R)-4-[(2R,4S,6S)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-4-hydroxyoxan-2-yl]-3-trimethylsilyloxybutanoate

ethyl (3R)-4-[(2R,4S,6S)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-4-hydroxyoxan-2-yl]-3-trimethylsilyloxybutanoate (PubChem CID 131733241) has the molecular formula C42H62O8Si2 and a molecular weight of 751.12 g/mol. Its IUPAC name is ethyl (3R)-4-[(2R,4S,6S)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-4-hydroxyoxan-2-yl]-3-trimethylsilyloxybutanoate.

Molecular Properties

• Compound Name: ethyl (3R)-4-[(2R,4S,6S)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-4-hydroxyoxan-2-yl]-3-trimethylsilyloxybutanoate
• PubChem CID: 131733241
• Molecular Formula: C42H62O8Si2
• Molecular Weight: 751.12 g/mol
• Exact Mass: 750.40
• IUPAC Name: ethyl (3R)-4-[(2R,4S,6S)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-4-hydroxyoxan-2-yl]-3-trimethylsilyloxybutanoate
• SMILES: CCOC(=O)C[C@@H](C[C@H]1C[C@@H](O)C[C@@H](C[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCc2ccc(OC)cc2)O1)O[Si](C)(C)C
• InChI: InChI=1S/C42H62O8Si2/c1-9-46-41(44)30-38(50-51(6,7)8)29-37-27-33(43)26-36(49-37)28-35(47-31-32-20-22-34(45-5)23-21-32)24-25-48-52(42(2,3)4,39-16-12-10-13-17-39)40-18-14-11-15-19-40/h10-23,33,35-38,43H,9,24-31H2,1-8H3/t33-,35-,36-,37+,38+/m0/s1
• InChIKey: YQIGIJYKTCMLLI-ALKAVZJCSA-N
• XLogP: 7.41
• TPSA: 92.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.12
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	1
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 ethyl (3R)-4-[(2R,4S,6S)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-4-hydroxyoxan-2-yl]-3-trimethylsilyloxybutanoate?

The IUPAC name of ethyl (3R)-4-[(2R,4S,6S)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-4-hydroxyoxan-2-yl]-3-trimethylsilyloxybutanoate (CID 131733241) is ethyl (3R)-4-[(2R,4S,6S)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-4-hydroxyoxan-2-yl]-3-trimethylsilyloxybutanoate.

What is the SMILES notation for ethyl (3R)-4-[(2R,4S,6S)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-4-hydroxyoxan-2-yl]-3-trimethylsilyloxybutanoate?

The canonical SMILES for ethyl (3R)-4-[(2R,4S,6S)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-4-hydroxyoxan-2-yl]-3-trimethylsilyloxybutanoate is CCOC(=O)C[C@@H](C[C@H]1C[C@@H](O)C[C@@H](C[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCc2ccc(OC)cc2)O1)O[Si](C)(C)C.

What is the InChIKey of ethyl (3R)-4-[(2R,4S,6S)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-4-hydroxyoxan-2-yl]-3-trimethylsilyloxybutanoate?

The InChIKey is YQIGIJYKTCMLLI-ALKAVZJCSA-N. The full InChI is InChI=1S/C42H62O8Si2/c1-9-46-41(44)30-38(50-51(6,7)8)29-37-27-33(43)26-36(49-37)28-35(47-31-32-20-22-34(45-5)23-21-32)24-25-48-52(42(2,3)4,39-16-12-10-13-17-39)40-18-14-11-15-19-40/h10-23,33,35-38,43H,9,24-31H2,1-8H3/t33-,35-,36-,37+,38+/m0/s1.

What are the key properties of ethyl (3R)-4-[(2R,4S,6S)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-4-hydroxyoxan-2-yl]-3-trimethylsilyloxybutanoate?

ethyl (3R)-4-[(2R,4S,6S)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-4-hydroxyoxan-2-yl]-3-trimethylsilyloxybutanoate has a molecular weight of 751.12 g/mol, XLogP of 7.41, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (3R)-4-[(2R,4S,6S)-6-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-4-hydroxyoxan-2-yl]-3-trimethylsilyloxybutanoate is sourced from PubChem (CID 131733241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).