4-O-[2-[2-[4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate

C33H43O15P — CID 156662522

About 4-O-[2-[2-[4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate

4-O-[2-[2-[4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate (PubChem CID 156662522) has the molecular formula C33H43O15P and a molecular weight of 710.67 g/mol. Its IUPAC name is 4-O-[2-[2-[4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate.

Molecular Properties

• Compound Name: 4-O-[2-[2-[4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate
• PubChem CID: 156662522
• Molecular Formula: C33H43O15P
• Molecular Weight: 710.67 g/mol
• Exact Mass: 710.23
• IUPAC Name: 4-O-[2-[2-[4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate
• SMILES: O=C(CCC(=O)OCCOCCOC(=O)CC(CP1(=O)Oc2ccccc2-c2ccccc21)C(=O)OCCOCCO)OCCOCCO
• InChI: InChI=1S/C33H43O15P/c34-11-13-41-15-19-44-30(36)9-10-31(37)45-20-16-43-17-21-46-32(38)23-25(33(39)47-22-18-42-14-12-35)24-49(40)29-8-4-2-6-27(29)26-5-1-3-7-28(26)48-49/h1-8,25,34-35H,9-24H2
• InChIKey: KSDDVSMLBAWJNJ-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 199.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.67
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-O-[2-[2-[4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate?

The IUPAC name of 4-O-[2-[2-[4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate (CID 156662522) is 4-O-[2-[2-[4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate.

What is the SMILES notation for 4-O-[2-[2-[4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate?

The canonical SMILES for 4-O-[2-[2-[4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate is O=C(CCC(=O)OCCOCCOC(=O)CC(CP1(=O)Oc2ccccc2-c2ccccc21)C(=O)OCCOCCO)OCCOCCO.

What is the InChIKey of 4-O-[2-[2-[4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate?

The InChIKey is KSDDVSMLBAWJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43O15P/c34-11-13-41-15-19-44-30(36)9-10-31(37)45-20-16-43-17-21-46-32(38)23-25(33(39)47-22-18-42-14-12-35)24-49(40)29-8-4-2-6-27(29)26-5-1-3-7-28(26)48-49/h1-8,25,34-35H,9-24H2.

What are the key properties of 4-O-[2-[2-[4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate?

4-O-[2-[2-[4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate has a molecular weight of 710.67 g/mol, XLogP of 1.64, 24 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-O-[2-[2-[4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioate is sourced from PubChem (CID 156662522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).