(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pentanoic acid

C27H55NO7Si2 — CID 53465945

About (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pentanoic acid

(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pentanoic acid (PubChem CID 53465945) has the molecular formula C27H55NO7Si2 and a molecular weight of 561.91 g/mol. Its IUPAC name is (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pentanoic acid.

Molecular Properties

• Compound Name: (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pentanoic acid
• PubChem CID: 53465945
• Molecular Formula: C27H55NO7Si2
• Molecular Weight: 561.91 g/mol
• Exact Mass: 561.35
• IUPAC Name: (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pentanoic acid
• SMILES: CC(C)(C)OC(=O)N1[C@H]([C@H](C[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)COC1(C)C
• InChI: InChI=1S/C27H55NO7Si2/c1-24(2,3)33-23(31)28-20(18-32-27(28,10)11)21(35-37(14,15)26(7,8)9)16-19(17-22(29)30)34-36(12,13)25(4,5)6/h19-21H,16-18H2,1-15H3,(H,29,30)/t19-,20-,21-/m0/s1
• InChIKey: ISUONEBAYAGMFS-ACRUOGEOSA-N
• XLogP: 7.00
• TPSA: 94.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.91
LogP ≤ 5	7.00
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 (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pentanoic acid?

The IUPAC name of (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pentanoic acid (CID 53465945) is (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pentanoic acid.

What is the SMILES notation for (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pentanoic acid?

The canonical SMILES for (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pentanoic acid is CC(C)(C)OC(=O)N1[C@H]([C@H](C[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)COC1(C)C.

What is the InChIKey of (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pentanoic acid?

The InChIKey is ISUONEBAYAGMFS-ACRUOGEOSA-N. The full InChI is InChI=1S/C27H55NO7Si2/c1-24(2,3)33-23(31)28-20(18-32-27(28,10)11)21(35-37(14,15)26(7,8)9)16-19(17-22(29)30)34-36(12,13)25(4,5)6/h19-21H,16-18H2,1-15H3,(H,29,30)/t19-,20-,21-/m0/s1.

What are the key properties of (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pentanoic acid?

(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pentanoic acid has a molecular weight of 561.91 g/mol, XLogP of 7.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pentanoic acid is sourced from PubChem (CID 53465945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).