(4R,5R,7S,9R,10S)-11-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethoxy-10-(methoxymethoxy)-2,2-dimethyl-3,11-dioxoundecanal

C39H67NO11Si2 — CID 42624896

About (4R,5R,7S,9R,10S)-11-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethoxy-10-(methoxymethoxy)-2,2-dimethyl-3,11-dioxoundecanal

(4R,5R,7S,9R,10S)-11-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethoxy-10-(methoxymethoxy)-2,2-dimethyl-3,11-dioxoundecanal (PubChem CID 42624896) has the molecular formula C39H67NO11Si2 and a molecular weight of 782.13 g/mol. Its IUPAC name is (4R,5R,7S,9R,10S)-11-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethoxy-10-(methoxymethoxy)-2,2-dimethyl-3,11-dioxoundecanal.

Molecular Properties

• Compound Name: (4R,5R,7S,9R,10S)-11-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethoxy-10-(methoxymethoxy)-2,2-dimethyl-3,11-dioxoundecanal
• PubChem CID: 42624896
• Molecular Formula: C39H67NO11Si2
• Molecular Weight: 782.13 g/mol
• Exact Mass: 781.43
• IUPAC Name: (4R,5R,7S,9R,10S)-11-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethoxy-10-(methoxymethoxy)-2,2-dimethyl-3,11-dioxoundecanal
• SMILES: COCO[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@@H](C[C@@H](C[C@@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)C(C)(C)C=O)O[Si](C)(C)C(C)(C)C)OC
• InChI: InChI=1S/C39H67NO11Si2/c1-37(2,3)52(12,13)50-29(22-30(46-10)32(34(42)39(7,8)25-41)51-53(14,15)38(4,5)6)23-31(47-11)33(49-26-45-9)35(43)40-28(24-48-36(40)44)21-27-19-17-16-18-20-27/h16-20,25,28-33H,21-24,26H2,1-15H3/t28-,29+,30+,31+,32+,33-/m0/s1
• InChIKey: BFYNLKXMWGETBZ-OMEZYKDXSA-N
• XLogP: 6.95
• TPSA: 136.13 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	782.13
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,5R,7S,9R,10S)-11-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethoxy-10-(methoxymethoxy)-2,2-dimethyl-3,11-dioxoundecanal?

The IUPAC name of (4R,5R,7S,9R,10S)-11-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethoxy-10-(methoxymethoxy)-2,2-dimethyl-3,11-dioxoundecanal (CID 42624896) is (4R,5R,7S,9R,10S)-11-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethoxy-10-(methoxymethoxy)-2,2-dimethyl-3,11-dioxoundecanal.

What is the SMILES notation for (4R,5R,7S,9R,10S)-11-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethoxy-10-(methoxymethoxy)-2,2-dimethyl-3,11-dioxoundecanal?

The canonical SMILES for (4R,5R,7S,9R,10S)-11-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethoxy-10-(methoxymethoxy)-2,2-dimethyl-3,11-dioxoundecanal is COCO[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@@H](C[C@@H](C[C@@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)C(C)(C)C=O)O[Si](C)(C)C(C)(C)C)OC.

What is the InChIKey of (4R,5R,7S,9R,10S)-11-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethoxy-10-(methoxymethoxy)-2,2-dimethyl-3,11-dioxoundecanal?

The InChIKey is BFYNLKXMWGETBZ-OMEZYKDXSA-N. The full InChI is InChI=1S/C39H67NO11Si2/c1-37(2,3)52(12,13)50-29(22-30(46-10)32(34(42)39(7,8)25-41)51-53(14,15)38(4,5)6)23-31(47-11)33(49-26-45-9)35(43)40-28(24-48-36(40)44)21-27-19-17-16-18-20-27/h16-20,25,28-33H,21-24,26H2,1-15H3/t28-,29+,30+,31+,32+,33-/m0/s1.

What are the key properties of (4R,5R,7S,9R,10S)-11-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethoxy-10-(methoxymethoxy)-2,2-dimethyl-3,11-dioxoundecanal?

(4R,5R,7S,9R,10S)-11-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethoxy-10-(methoxymethoxy)-2,2-dimethyl-3,11-dioxoundecanal has a molecular weight of 782.13 g/mol, XLogP of 6.95, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R,7S,9R,10S)-11-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethoxy-10-(methoxymethoxy)-2,2-dimethyl-3,11-dioxoundecanal is sourced from PubChem (CID 42624896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).