(4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H45NO5Si — CID 11004763

About (4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11004763) has the molecular formula C23H45NO5Si and a molecular weight of 443.70 g/mol. Its IUPAC name is (4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 11004763
• Molecular Formula: C23H45NO5Si
• Molecular Weight: 443.70 g/mol
• Exact Mass: 443.31
• IUPAC Name: (4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
• InChI: InChI=1S/C23H45NO5Si/c1-12-15(4)20(29-30(10,11)23(7,8)9)16(5)19(25)17(6)21(26)24-18(14(2)3)13-28-22(24)27/h14-20,25H,12-13H2,1-11H3/t15-,16+,17-,18+,19+,20+/m0/s1
• InChIKey: RUXBBDRSTSOXQM-XYWBXWKWSA-N
• XLogP: 5.06
• TPSA: 76.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.70
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11004763) is (4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C.

What is the InChIKey of (4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is RUXBBDRSTSOXQM-XYWBXWKWSA-N. The full InChI is InChI=1S/C23H45NO5Si/c1-12-15(4)20(29-30(10,11)23(7,8)9)16(5)19(25)17(6)21(26)24-18(14(2)3)13-28-22(24)27/h14-20,25H,12-13H2,1-11H3/t15-,16+,17-,18+,19+,20+/m0/s1.

What are the key properties of (4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

(4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 443.70 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11004763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).