5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-pyridin-2-one

C28H55NO5Si3 — CID 53474644

About 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-pyridin-2-one

5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-pyridin-2-one (PubChem CID 53474644) has the molecular formula C28H55NO5Si3 and a molecular weight of 570.01 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]-1H-pyridin-2-one.

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]-1H-pyridin-2-one
• PubChem CID: 53474644
• Molecular Formula: C28H55NO5Si3
• Molecular Weight: 570.01 g/mol
• Exact Mass: 569.34
• IUPAC Name: 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-pyridin-2-one
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](c2ccc(=O)[nH]c2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C28H55NO5Si3/c1-26(2,3)35(10,11)31-19-21-24(33-36(12,13)27(4,5)6)25(34-37(14,15)28(7,8)9)23(32-21)20-16-17-22(30)29-18-20/h16-18,21,23-25H,19H2,1-15H3,(H,29,30)/t21-,23+,24-,25+/m1/s1
• InChIKey: FSCAXSYWVLYZNE-WUEDSLEZSA-N
• XLogP: 7.62
• TPSA: 69.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.01
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	1
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 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-pyridin-2-one?

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]-1H-pyridin-2-one (CID 53474644) is 5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-pyridin-2-one.

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]-1H-pyridin-2-one?

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]-1H-pyridin-2-one is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](c2ccc(=O)[nH]c2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.

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]-1H-pyridin-2-one?

The InChIKey is FSCAXSYWVLYZNE-WUEDSLEZSA-N. The full InChI is InChI=1S/C28H55NO5Si3/c1-26(2,3)35(10,11)31-19-21-24(33-36(12,13)27(4,5)6)25(34-37(14,15)28(7,8)9)23(32-21)20-16-17-22(30)29-18-20/h16-18,21,23-25H,19H2,1-15H3,(H,29,30)/t21-,23+,24-,25+/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]-1H-pyridin-2-one?

5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-pyridin-2-one has a molecular weight of 570.01 g/mol, XLogP of 7.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 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]-1H-pyridin-2-one is sourced from PubChem (CID 53474644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).