5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine

C30H60N2O4Si3 — CID 53474641

About 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine

5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 53474641) has the molecular formula C30H60N2O4Si3 and a molecular weight of 597.08 g/mol. Its IUPAC name is 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

• Compound Name: 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine
• PubChem CID: 53474641
• Molecular Formula: C30H60N2O4Si3
• Molecular Weight: 597.08 g/mol
• Exact Mass: 596.39
• IUPAC Name: 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine
• SMILES: CN(C)c1ccc([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)cn1
• InChI: InChI=1S/C30H60N2O4Si3/c1-28(2,3)37(12,13)33-21-23-26(35-38(14,15)29(4,5)6)27(36-39(16,17)30(7,8)9)25(34-23)22-18-19-24(31-20-22)32(10)11/h18-20,23,25-27H,21H2,1-17H3/t23-,25+,26-,27+/m1/s1
• InChIKey: XQHXXVWGAOKEIH-ZJHRHMSFSA-N
• XLogP: 8.39
• TPSA: 53.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.08
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine?

The IUPAC name of 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine (CID 53474641) is 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine.

What is the SMILES notation for 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine?

The canonical SMILES for 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)cn1.

What is the InChIKey of 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine?

The InChIKey is XQHXXVWGAOKEIH-ZJHRHMSFSA-N. The full InChI is InChI=1S/C30H60N2O4Si3/c1-28(2,3)37(12,13)33-21-23-26(35-38(14,15)29(4,5)6)27(36-39(16,17)30(7,8)9)25(34-23)22-18-19-24(31-20-22)32(10)11/h18-20,23,25-27H,21H2,1-17H3/t23-,25+,26-,27+/m1/s1.

What are the key properties of 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine?

5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 597.08 g/mol, XLogP of 8.39, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 53474641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).