[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methoxy-tert-butyl-dimethylsilane

C34H44O5Si — CID 101100247

About [(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 101100247) has the molecular formula C34H44O5Si and a molecular weight of 560.81 g/mol. Its IUPAC name is [(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 101100247
• Molecular Formula: C34H44O5Si
• Molecular Weight: 560.81 g/mol
• Exact Mass: 560.30
• IUPAC Name: [(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methoxy-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OCC1=CO[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
• InChI: InChI=1S/C34H44O5Si/c1-34(2,3)40(4,5)39-25-30-24-36-31(26-35-21-27-15-9-6-10-16-27)33(38-23-29-19-13-8-14-20-29)32(30)37-22-28-17-11-7-12-18-28/h6-20,24,31-33H,21-23,25-26H2,1-5H3/t31-,32-,33-/m1/s1
• InChIKey: WWLGCFBKJABANC-WRVRXEDSSA-N
• XLogP: 7.68
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.81
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methoxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methoxy-tert-butyl-dimethylsilane (CID 101100247) is [(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methoxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1=CO[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.

What is the InChIKey of [(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methoxy-tert-butyl-dimethylsilane?

The InChIKey is WWLGCFBKJABANC-WRVRXEDSSA-N. The full InChI is InChI=1S/C34H44O5Si/c1-34(2,3)40(4,5)39-25-30-24-36-31(26-35-21-27-15-9-6-10-16-27)33(38-23-29-19-13-8-14-20-29)32(30)37-22-28-17-11-7-12-18-28/h6-20,24,31-33H,21-23,25-26H2,1-5H3/t31-,32-,33-/m1/s1.

What are the key properties of [(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methoxy-tert-butyl-dimethylsilane?

[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 560.81 g/mol, XLogP of 7.68, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101100247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).