methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate

C47H54O9Si — CID 44512548

About methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate

methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate (PubChem CID 44512548) has the molecular formula C47H54O9Si and a molecular weight of 791.03 g/mol. Its IUPAC name is methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate.

Molecular Properties

• Compound Name: methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate
• PubChem CID: 44512548
• Molecular Formula: C47H54O9Si
• Molecular Weight: 791.03 g/mol
• Exact Mass: 790.35
• IUPAC Name: methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate
• SMILES: COC(=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C47H54O9Si/c1-47(2,3)57(38-26-16-8-17-27-38,39-28-18-9-19-29-39)54-34-41(45(49)50-4)56-46-44(53-33-37-24-14-7-15-25-37)43(52-32-36-22-12-6-13-23-36)42(40(30-48)55-46)51-31-35-20-10-5-11-21-35/h5-29,40-44,46,48H,30-34H2,1-4H3/t40-,41-,42-,43+,44-,46-/m1/s1
• InChIKey: KYNGSXWXEUKUAU-CQVCTRCBSA-N
• XLogP: 6.59
• TPSA: 101.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.03
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate?

The IUPAC name of methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate (CID 44512548) is methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate.

What is the SMILES notation for methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate?

The canonical SMILES for methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate is COC(=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.

What is the InChIKey of methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate?

The InChIKey is KYNGSXWXEUKUAU-CQVCTRCBSA-N. The full InChI is InChI=1S/C47H54O9Si/c1-47(2,3)57(38-26-16-8-17-27-38,39-28-18-9-19-29-39)54-34-41(45(49)50-4)56-46-44(53-33-37-24-14-7-15-25-37)43(52-32-36-22-12-6-13-23-36)42(40(30-48)55-46)51-31-35-20-10-5-11-21-35/h5-29,40-44,46,48H,30-34H2,1-4H3/t40-,41-,42-,43+,44-,46-/m1/s1.

What are the key properties of methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate?

methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate has a molecular weight of 791.03 g/mol, XLogP of 6.59, 18 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate is sourced from PubChem (CID 44512548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).