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

C27H56O7Si2 — CID 59916222

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

[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 59916222) has the molecular formula C27H56O7Si2 and a molecular weight of 548.91 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
• PubChem CID: 59916222
• Molecular Formula: C27H56O7Si2
• Molecular Weight: 548.91 g/mol
• Exact Mass: 548.36
• IUPAC Name: [(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
• SMILES: CO[C@@H]1[C@H](CO)[C@H](COC(=O)C(C)(C)C)O[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H56O7Si2/c1-25(2,3)24(29)31-18-22-20(16-28)23(30-10)21(33-22)15-19(34-36(13,14)27(7,8)9)17-32-35(11,12)26(4,5)6/h19-23,28H,15-18H2,1-14H3/t19-,20+,21+,22-,23+/m0/s1
• InChIKey: XVHUGOZVZVHHAG-BVAFDOMYSA-N
• XLogP: 5.77
• TPSA: 83.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.91
LogP ≤ 5	5.77
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,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate?

The IUPAC name of [(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate (CID 59916222) is [(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate.

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

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

What is the InChIKey of [(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate?

The InChIKey is XVHUGOZVZVHHAG-BVAFDOMYSA-N. The full InChI is InChI=1S/C27H56O7Si2/c1-25(2,3)24(29)31-18-22-20(16-28)23(30-10)21(33-22)15-19(34-36(13,14)27(7,8)9)17-32-35(11,12)26(4,5)6/h19-23,28H,15-18H2,1-14H3/t19-,20+,21+,22-,23+/m0/s1.

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

[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 548.91 g/mol, XLogP of 5.77, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 59916222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).