6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine

C28H56N2O4Si3 — CID 44633293

About 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine

6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine (PubChem CID 44633293) has the molecular formula C28H56N2O4Si3 and a molecular weight of 569.02 g/mol. Its IUPAC name is 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine
• PubChem CID: 44633293
• Molecular Formula: C28H56N2O4Si3
• Molecular Weight: 569.02 g/mol
• Exact Mass: 568.35
• IUPAC Name: 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](c2cccc(N)n2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C28H56N2O4Si3/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)20-17-16-18-22(29)30-20/h16-18,21,23-25H,19H2,1-15H3,(H2,29,30)/t21-,23+,24-,25+/m1/s1
• InChIKey: WHMLCHUKCNTMPP-WUEDSLEZSA-N
• XLogP: 7.91
• TPSA: 75.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.02
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	1
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 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine?

The IUPAC name of 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine (CID 44633293) is 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine.

What is the SMILES notation for 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine?

The canonical SMILES for 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](c2cccc(N)n2)[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 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine?

The InChIKey is WHMLCHUKCNTMPP-WUEDSLEZSA-N. The full InChI is InChI=1S/C28H56N2O4Si3/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)20-17-16-18-22(29)30-20/h16-18,21,23-25H,19H2,1-15H3,(H2,29,30)/t21-,23+,24-,25+/m1/s1.

What are the key properties of 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine?

6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine has a molecular weight of 569.02 g/mol, XLogP of 7.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine is sourced from PubChem (CID 44633293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).