2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol

C24H48O9Si2 — CID 4550889

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol (PubChem CID 4550889) has the molecular formula C24H48O9Si2 and a molecular weight of 536.81 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol
• PubChem CID: 4550889
• Molecular Formula: C24H48O9Si2
• Molecular Weight: 536.81 g/mol
• Exact Mass: 536.28
• IUPAC Name: 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol
• SMILES: CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C=COC2CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O
• InChI: InChI=1S/C24H48O9Si2/c1-23(2,3)34(7,8)30-13-16-18(26)19(27)20(28)22(32-16)33-21-15(25)11-12-29-17(21)14-31-35(9,10)24(4,5)6/h11-12,15-22,25-28H,13-14H2,1-10H3
• InChIKey: KASQKNDGTRZEQT-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 127.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.81
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol?

The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol (CID 4550889) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol.

What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol?

The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol is CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C=COC2CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O.

What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol?

The InChIKey is KASQKNDGTRZEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O9Si2/c1-23(2,3)34(7,8)30-13-16-18(26)19(27)20(28)22(32-16)33-21-15(25)11-12-29-17(21)14-31-35(9,10)24(4,5)6/h11-12,15-22,25-28H,13-14H2,1-10H3.

What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol?

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol has a molecular weight of 536.81 g/mol, XLogP of 2.50, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol is sourced from PubChem (CID 4550889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).