2,2,2-trichloroethyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate

C25H32Cl3NO7Si — CID 11678766

About 2,2,2-trichloroethyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate

2,2,2-trichloroethyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate (PubChem CID 11678766) has the molecular formula C25H32Cl3NO7Si and a molecular weight of 592.98 g/mol. Its IUPAC name is 2,2,2-trichloroethyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate.

Molecular Properties

• Compound Name: 2,2,2-trichloroethyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
• PubChem CID: 11678766
• Molecular Formula: C25H32Cl3NO7Si
• Molecular Weight: 592.98 g/mol
• Exact Mass: 591.10
• IUPAC Name: 2,2,2-trichloroethyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
• SMILES: CC(C)(C)[Si](OC1OC(CO)C(O)C(O)C1NC(=O)OCC(Cl)(Cl)Cl)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H32Cl3NO7Si/c1-24(2,3)37(16-10-6-4-7-11-16,17-12-8-5-9-13-17)36-22-19(21(32)20(31)18(14-30)35-22)29-23(33)34-15-25(26,27)28/h4-13,18-22,30-32H,14-15H2,1-3H3,(H,29,33)
• InChIKey: CORRAMPBDGKLEJ-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 117.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.98
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloroethyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?

The IUPAC name of 2,2,2-trichloroethyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate (CID 11678766) is 2,2,2-trichloroethyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate.

What is the SMILES notation for 2,2,2-trichloroethyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?

The canonical SMILES for 2,2,2-trichloroethyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate is CC(C)(C)[Si](OC1OC(CO)C(O)C(O)C1NC(=O)OCC(Cl)(Cl)Cl)(c1ccccc1)c1ccccc1.

What is the InChIKey of 2,2,2-trichloroethyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?

The InChIKey is CORRAMPBDGKLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl3NO7Si/c1-24(2,3)37(16-10-6-4-7-11-16,17-12-8-5-9-13-17)36-22-19(21(32)20(31)18(14-30)35-22)29-23(33)34-15-25(26,27)28/h4-13,18-22,30-32H,14-15H2,1-3H3,(H,29,33).

What are the key properties of 2,2,2-trichloroethyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?

2,2,2-trichloroethyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate has a molecular weight of 592.98 g/mol, XLogP of 2.47, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trichloroethyl N-[2-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate is sourced from PubChem (CID 11678766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).