(4R,5S)-3-[(2S,3R)-2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-3-yl]-5-oxooxolan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

C34H45NO7Si — CID 11786801

About (4R,5S)-3-[(2S,3R)-2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-3-yl]-5-oxooxolan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(2S,3R)-2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-3-yl]-5-oxooxolan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 11786801) has the molecular formula C34H45NO7Si and a molecular weight of 607.82 g/mol. Its IUPAC name is (4R,5S)-3-[(2S,3R)-2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-3-yl]-5-oxooxolan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R,5S)-3-[(2S,3R)-2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-3-yl]-5-oxooxolan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
• PubChem CID: 11786801
• Molecular Formula: C34H45NO7Si
• Molecular Weight: 607.82 g/mol
• Exact Mass: 607.30
• IUPAC Name: (4R,5S)-3-[(2S,3R)-2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-3-yl]-5-oxooxolan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1OC2(CCCCC2)O[C@H]1[C@H]1OC(=O)C[C@H]1N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
• InChI: InChI=1S/C34H45NO7Si/c1-33(2,3)43(4,5)38-22-26-31(42-34(41-26)19-13-8-14-20-34)30-25(21-27(36)39-30)35-28(23-15-9-6-10-16-23)29(40-32(35)37)24-17-11-7-12-18-24/h6-7,9-12,15-18,25-26,28-31H,8,13-14,19-22H2,1-5H3/t25-,26+,28-,29+,30+,31-/m1/s1
• InChIKey: XAGMAOCFRSHATJ-KMBZMPAASA-N
• XLogP: 7.07
• TPSA: 83.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.82
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	0
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 (4R,5S)-3-[(2S,3R)-2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-3-yl]-5-oxooxolan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4R,5S)-3-[(2S,3R)-2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-3-yl]-5-oxooxolan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 11786801) is (4R,5S)-3-[(2S,3R)-2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-3-yl]-5-oxooxolan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R,5S)-3-[(2S,3R)-2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-3-yl]-5-oxooxolan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4R,5S)-3-[(2S,3R)-2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-3-yl]-5-oxooxolan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1OC2(CCCCC2)O[C@H]1[C@H]1OC(=O)C[C@H]1N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1.

What is the InChIKey of (4R,5S)-3-[(2S,3R)-2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-3-yl]-5-oxooxolan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?

The InChIKey is XAGMAOCFRSHATJ-KMBZMPAASA-N. The full InChI is InChI=1S/C34H45NO7Si/c1-33(2,3)43(4,5)38-22-26-31(42-34(41-26)19-13-8-14-20-34)30-25(21-27(36)39-30)35-28(23-15-9-6-10-16-23)29(40-32(35)37)24-17-11-7-12-18-24/h6-7,9-12,15-18,25-26,28-31H,8,13-14,19-22H2,1-5H3/t25-,26+,28-,29+,30+,31-/m1/s1.

What are the key properties of (4R,5S)-3-[(2S,3R)-2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-3-yl]-5-oxooxolan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?

(4R,5S)-3-[(2S,3R)-2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-3-yl]-5-oxooxolan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 607.82 g/mol, XLogP of 7.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-3-[(2S,3R)-2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-3-yl]-5-oxooxolan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11786801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).