(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol

C58H61ClO7Si — CID 142416430

About (3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol

(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol (PubChem CID 142416430) has the molecular formula C58H61ClO7Si and a molecular weight of 933.66 g/mol. Its IUPAC name is (3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol.

Molecular Properties

• Compound Name: (3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol
• PubChem CID: 142416430
• Molecular Formula: C58H61ClO7Si
• Molecular Weight: 933.66 g/mol
• Exact Mass: 932.39
• IUPAC Name: (3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol
• SMILES: CCOc1ccc(Cc2cc(C3(O)O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)cc1
• InChI: InChI=1S/C58H61ClO7Si/c1-5-61-49-34-31-43(32-35-49)37-47-38-48(33-36-52(47)59)58(60)56(64-41-46-25-15-8-16-26-46)55(63-40-45-23-13-7-14-24-45)54(62-39-44-21-11-6-12-22-44)53(66-58)42-65-67(57(2,3)4,50-27-17-9-18-28-50)51-29-19-10-20-30-51/h6-36,38,53-56,60H,5,37,39-42H2,1-4H3/t53-,54-,55+,56-,58?/m1/s1
• InChIKey: DTPAWIGAYIAPGS-SXOQVFNXSA-N
• XLogP: 11.21
• TPSA: 75.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.66
LogP ≤ 5	11.21
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,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol?

The IUPAC name of (3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol (CID 142416430) is (3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol.

What is the SMILES notation for (3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol?

The canonical SMILES for (3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol is CCOc1ccc(Cc2cc(C3(O)O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)cc1.

What is the InChIKey of (3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol?

The InChIKey is DTPAWIGAYIAPGS-SXOQVFNXSA-N. The full InChI is InChI=1S/C58H61ClO7Si/c1-5-61-49-34-31-43(32-35-49)37-47-38-48(33-36-52(47)59)58(60)56(64-41-46-25-15-8-16-26-46)55(63-40-45-23-13-7-14-24-45)54(62-39-44-21-11-6-12-22-44)53(66-58)42-65-67(57(2,3)4,50-27-17-9-18-28-50)51-29-19-10-20-30-51/h6-36,38,53-56,60H,5,37,39-42H2,1-4H3/t53-,54-,55+,56-,58?/m1/s1.

What are the key properties of (3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol?

(3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol has a molecular weight of 933.66 g/mol, XLogP of 11.21, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol is sourced from PubChem (CID 142416430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).