1-[5-[3-[6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxypropyl]-4-(3-methylphenyl)furan-2-yl]-2-methyl-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propane-1,3-dione

C45H53NO11 — CID 4278770

About 1-[5-[3-[6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxypropyl]-4-(3-methylphenyl)furan-2-yl]-2-methyl-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propane-1,3-dione

1-[5-[3-[6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxypropyl]-4-(3-methylphenyl)furan-2-yl]-2-methyl-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propane-1,3-dione (PubChem CID 4278770) has the molecular formula C45H53NO11 and a molecular weight of 783.92 g/mol. Its IUPAC name is 1-[5-[3-[6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxypropyl]-4-(3-methylphenyl)furan-2-yl]-2-methyl-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propane-1,3-dione.

Molecular Properties

• Compound Name: 1-[5-[3-[6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxypropyl]-4-(3-methylphenyl)furan-2-yl]-2-methyl-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propane-1,3-dione
• PubChem CID: 4278770
• Molecular Formula: C45H53NO11
• Molecular Weight: 783.92 g/mol
• Exact Mass: 783.36
• IUPAC Name: 1-[5-[3-[6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxypropyl]-4-(3-methylphenyl)furan-2-yl]-2-methyl-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propane-1,3-dione
• SMILES: COC1OC(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1OCCCc1oc(C(=O)C(C)C(=O)N2C(=O)OCC2C(C)C)cc1-c1cccc(C)c1
• InChI: InChI=1S/C45H53NO11/c1-28(2)35-27-55-45(50)46(35)43(49)30(4)39(48)37-23-34(33-19-12-14-29(3)22-33)36(56-37)20-13-21-52-42-41(54-26-32-17-10-7-11-18-32)40(38(24-47)57-44(42)51-5)53-25-31-15-8-6-9-16-31/h6-12,14-19,22-23,28,30,35,38,40-42,44,47H,13,20-21,24-27H2,1-5H3
• InChIKey: JQTNIDPBZOAELP-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 143.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	783.92
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxypropyl]-4-(3-methylphenyl)furan-2-yl]-2-methyl-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propane-1,3-dione?

The IUPAC name of 1-[5-[3-[6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxypropyl]-4-(3-methylphenyl)furan-2-yl]-2-methyl-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propane-1,3-dione (CID 4278770) is 1-[5-[3-[6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxypropyl]-4-(3-methylphenyl)furan-2-yl]-2-methyl-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propane-1,3-dione.

What is the SMILES notation for 1-[5-[3-[6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxypropyl]-4-(3-methylphenyl)furan-2-yl]-2-methyl-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propane-1,3-dione?

The canonical SMILES for 1-[5-[3-[6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxypropyl]-4-(3-methylphenyl)furan-2-yl]-2-methyl-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propane-1,3-dione is COC1OC(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1OCCCc1oc(C(=O)C(C)C(=O)N2C(=O)OCC2C(C)C)cc1-c1cccc(C)c1.

What is the InChIKey of 1-[5-[3-[6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxypropyl]-4-(3-methylphenyl)furan-2-yl]-2-methyl-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propane-1,3-dione?

The InChIKey is JQTNIDPBZOAELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H53NO11/c1-28(2)35-27-55-45(50)46(35)43(49)30(4)39(48)37-23-34(33-19-12-14-29(3)22-33)36(56-37)20-13-21-52-42-41(54-26-32-17-10-7-11-18-32)40(38(24-47)57-44(42)51-5)53-25-31-15-8-6-9-16-31/h6-12,14-19,22-23,28,30,35,38,40-42,44,47H,13,20-21,24-27H2,1-5H3.

What are the key properties of 1-[5-[3-[6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxypropyl]-4-(3-methylphenyl)furan-2-yl]-2-methyl-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propane-1,3-dione?

1-[5-[3-[6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxypropyl]-4-(3-methylphenyl)furan-2-yl]-2-methyl-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propane-1,3-dione has a molecular weight of 783.92 g/mol, XLogP of 6.93, 18 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-[6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxypropyl]-4-(3-methylphenyl)furan-2-yl]-2-methyl-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propane-1,3-dione is sourced from PubChem (CID 4278770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).