[1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxodecan-3-yl] 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate

C36H61NO15 — CID 170674607

About [1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxodecan-3-yl] 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate

[1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxodecan-3-yl] 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate (PubChem CID 170674607) has the molecular formula C36H61NO15 and a molecular weight of 747.88 g/mol. Its IUPAC name is [1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxodecan-3-yl] 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate.

Molecular Properties

• Compound Name: [1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxodecan-3-yl] 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate
• PubChem CID: 170674607
• Molecular Formula: C36H61NO15
• Molecular Weight: 747.88 g/mol
• Exact Mass: 747.40
• IUPAC Name: [1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxodecan-3-yl] 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate
• SMILES: CCCCCCCC(CC(=O)ON1C(=O)CCC1=O)OC(=O)CC(CCCCCCC)OC1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O
• InChI: InChI=1S/C36H61NO15/c1-5-7-9-11-13-15-23(20-28(41)52-37-25(38)17-18-26(37)39)49-27(40)19-24(16-14-12-10-8-6-2)50-36-34(32(45)30(43)22(4)48-36)51-35-33(46)31(44)29(42)21(3)47-35/h21-24,29-36,42-46H,5-20H2,1-4H3
• InChIKey: YBOPCDVJLPJNJE-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 228.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.88
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxodecan-3-yl] 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate?

The IUPAC name of [1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxodecan-3-yl] 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate (CID 170674607) is [1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxodecan-3-yl] 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate.

What is the SMILES notation for [1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxodecan-3-yl] 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate?

The canonical SMILES for [1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxodecan-3-yl] 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate is CCCCCCCC(CC(=O)ON1C(=O)CCC1=O)OC(=O)CC(CCCCCCC)OC1OC(C)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O.

What is the InChIKey of [1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxodecan-3-yl] 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate?

The InChIKey is YBOPCDVJLPJNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H61NO15/c1-5-7-9-11-13-15-23(20-28(41)52-37-25(38)17-18-26(37)39)49-27(40)19-24(16-14-12-10-8-6-2)50-36-34(32(45)30(43)22(4)48-36)51-35-33(46)31(44)29(42)21(3)47-35/h21-24,29-36,42-46H,5-20H2,1-4H3.

What are the key properties of [1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxodecan-3-yl] 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate?

[1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxodecan-3-yl] 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate has a molecular weight of 747.88 g/mol, XLogP of 2.07, 22 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxodecan-3-yl] 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxydecanoate is sourced from PubChem (CID 170674607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).