(2S,3R,4S,5R,6R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluorophenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

C57H59FO7Si — CID 87848545

About (2S,3R,4S,5R,6R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluorophenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

(2S,3R,4S,5R,6R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluorophenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (PubChem CID 87848545) has the molecular formula C57H59FO7Si and a molecular weight of 903.18 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluorophenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.

Molecular Properties

• Compound Name: (2S,3R,4S,5R,6R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluorophenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
• PubChem CID: 87848545
• Molecular Formula: C57H59FO7Si
• Molecular Weight: 903.18 g/mol
• Exact Mass: 902.40
• IUPAC Name: (2S,3R,4S,5R,6R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluorophenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
• SMILES: CC(C)(C)[Si](OCc1cc(F)cc([C@]2(O)O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C57H59FO7Si/c1-56(2,3)66(50-30-18-8-19-31-50,51-32-20-9-21-33-51)64-41-47-34-48(36-49(58)35-47)57(59)55(63-40-46-28-16-7-17-29-46)54(62-39-45-26-14-6-15-27-45)53(61-38-44-24-12-5-13-25-44)52(65-57)42-60-37-43-22-10-4-11-23-43/h4-36,52-55,59H,37-42H2,1-3H3/t52-,53-,54+,55-,57+/m1/s1
• InChIKey: WYHWEHLSDIHPQD-MHLSNBFHSA-N
• XLogP: 10.42
• TPSA: 75.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.18
LogP ≤ 5	10.42
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 (2S,3R,4S,5R,6R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluorophenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?

The IUPAC name of (2S,3R,4S,5R,6R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluorophenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (CID 87848545) is (2S,3R,4S,5R,6R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluorophenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.

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

The canonical SMILES for (2S,3R,4S,5R,6R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluorophenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is CC(C)(C)[Si](OCc1cc(F)cc([C@]2(O)O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c1)(c1ccccc1)c1ccccc1.

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

The InChIKey is WYHWEHLSDIHPQD-MHLSNBFHSA-N. The full InChI is InChI=1S/C57H59FO7Si/c1-56(2,3)66(50-30-18-8-19-31-50,51-32-20-9-21-33-51)64-41-47-34-48(36-49(58)35-47)57(59)55(63-40-46-28-16-7-17-29-46)54(62-39-45-26-14-6-15-27-45)53(61-38-44-24-12-5-13-25-44)52(65-57)42-60-37-43-22-10-4-11-23-43/h4-36,52-55,59H,37-42H2,1-3H3/t52-,53-,54+,55-,57+/m1/s1.

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

(2S,3R,4S,5R,6R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluorophenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol has a molecular weight of 903.18 g/mol, XLogP of 10.42, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5R,6R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluorophenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is sourced from PubChem (CID 87848545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).