(3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

C54H62O7Si — CID 163980748

About (3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

(3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (PubChem CID 163980748) has the molecular formula C54H62O7Si and a molecular weight of 851.17 g/mol. Its IUPAC name is (3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.

Molecular Properties

• Compound Name: (3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
• PubChem CID: 163980748
• Molecular Formula: C54H62O7Si
• Molecular Weight: 851.17 g/mol
• Exact Mass: 850.43
• IUPAC Name: (3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
• SMILES: Cc1ccc(C2(O)OC(COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)[C@H]2OCc2ccccc2)cc1Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1
• InChI: InChI=1S/C54H62O7Si/c1-40-27-30-47(34-46(40)33-41-28-31-48(32-29-41)61-62(5,6)53(2,3)4)54(55)52(59-38-45-25-17-10-18-26-45)51(58-37-44-23-15-9-16-24-44)50(57-36-43-21-13-8-14-22-43)49(60-54)39-56-35-42-19-11-7-12-20-42/h7-32,34,49-52,55H,33,35-39H2,1-6H3/t49?,50-,51?,52-,54?/m1/s1
• InChIKey: SYDWUNZXGDDWRJ-WWLMTELASA-N
• XLogP: 11.49
• TPSA: 75.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.17
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?

The IUPAC name of (3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (CID 163980748) is (3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.

What is the SMILES notation for (3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?

The canonical SMILES for (3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is Cc1ccc(C2(O)OC(COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)[C@H]2OCc2ccccc2)cc1Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1.

What is the InChIKey of (3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?

The InChIKey is SYDWUNZXGDDWRJ-WWLMTELASA-N. The full InChI is InChI=1S/C54H62O7Si/c1-40-27-30-47(34-46(40)33-41-28-31-48(32-29-41)61-62(5,6)53(2,3)4)54(55)52(59-38-45-25-17-10-18-26-45)51(58-37-44-23-15-9-16-24-44)50(57-36-43-21-13-8-14-22-43)49(60-54)39-56-35-42-19-11-7-12-20-42/h7-32,34,49-52,55H,33,35-39H2,1-6H3/t49?,50-,51?,52-,54?/m1/s1.

What are the key properties of (3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?

(3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol has a molecular weight of 851.17 g/mol, XLogP of 11.49, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is sourced from PubChem (CID 163980748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).