[(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate

C24H50O7Si2 — CID 56958533

About [(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate

[(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate (PubChem CID 56958533) has the molecular formula C24H50O7Si2 and a molecular weight of 506.83 g/mol. Its IUPAC name is [(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate
• PubChem CID: 56958533
• Molecular Formula: C24H50O7Si2
• Molecular Weight: 506.83 g/mol
• Exact Mass: 506.31
• IUPAC Name: [(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate
• SMILES: CO[C@@H]1O[C@@H]([C@H](O)COC(=O)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H50O7Si2/c1-22(2,3)21(26)28-15-16(25)17-18(30-32(11,12)23(4,5)6)19(20(27-10)29-17)31-33(13,14)24(7,8)9/h16-20,25H,15H2,1-14H3/t16-,17+,18+,19-,20-/m1/s1
• InChIKey: PYDBFXPIWBFQKR-LCWAXJCOSA-N
• XLogP: 5.09
• TPSA: 83.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.83
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate?

The IUPAC name of [(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate (CID 56958533) is [(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate?

The canonical SMILES for [(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate is CO[C@@H]1O[C@@H]([C@H](O)COC(=O)C(C)(C)C)[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 [(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate?

The InChIKey is PYDBFXPIWBFQKR-LCWAXJCOSA-N. The full InChI is InChI=1S/C24H50O7Si2/c1-22(2,3)21(26)28-15-16(25)17-18(30-32(11,12)23(4,5)6)19(20(27-10)29-17)31-33(13,14)24(7,8)9/h16-20,25H,15H2,1-14H3/t16-,17+,18+,19-,20-/m1/s1.

What are the key properties of [(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate?

[(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate has a molecular weight of 506.83 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyoxolan-2-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 56958533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).