(4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C24H45NO6Si — CID 163012733

About (4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 163012733) has the molecular formula C24H45NO6Si and a molecular weight of 471.71 g/mol. Its IUPAC name is (4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 163012733
• Molecular Formula: C24H45NO6Si
• Molecular Weight: 471.71 g/mol
• Exact Mass: 471.30
• IUPAC Name: (4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)OC(C)(C)O[C@@H]1[C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
• InChI: InChI=1S/C24H45NO6Si/c1-13-18(30-32(11,12)22(5,6)7)24(10)19(29-23(8,9)31-24)16(4)20(26)25-17(15(2)3)14-28-21(25)27/h15-19H,13-14H2,1-12H3/t16-,17-,18-,19-,24-/m1/s1
• InChIKey: RGRCZGBEYSJVDE-QRYDCHBUSA-N
• XLogP: 5.34
• TPSA: 74.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.71
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
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 (4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 163012733) is (4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)OC(C)(C)O[C@@H]1[C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C.

What is the InChIKey of (4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is RGRCZGBEYSJVDE-QRYDCHBUSA-N. The full InChI is InChI=1S/C24H45NO6Si/c1-13-18(30-32(11,12)22(5,6)7)24(10)19(29-23(8,9)31-24)16(4)20(26)25-17(15(2)3)14-28-21(25)27/h15-19H,13-14H2,1-12H3/t16-,17-,18-,19-,24-/m1/s1.

What are the key properties of (4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

(4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 471.71 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 163012733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).