5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid

C32H36O22 — CID 88689288

About 5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid

5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid (PubChem CID 88689288) has the molecular formula C32H36O22 and a molecular weight of 772.62 g/mol. Its IUPAC name is 5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid
• PubChem CID: 88689288
• Molecular Formula: C32H36O22
• Molecular Weight: 772.62 g/mol
• Exact Mass: 772.17
• IUPAC Name: 5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid
• SMILES: O=C(O)CCCC(=O)OC(=O)CCC(=O)OC(=O)CCCC(=O)OC(=O)/C=C\C(=O)OC(=O)CCCC(=O)OC(=O)CCC(=O)OC(=O)CCCC(=O)O
• InChI: InChI=1S/C32H36O22/c33-19(34)5-1-7-21(37)49-27(43)13-15-29(45)51-23(39)9-3-11-25(41)53-31(47)17-18-32(48)54-26(42)12-4-10-24(40)52-30(46)16-14-28(44)50-22(38)8-2-6-20(35)36/h17-18H,1-16H2,(H,33,34)(H,35,36)/b18-17-
• InChIKey: ASANVWOAWXQLCN-ZCXUNETKSA-N
• XLogP: 0.37
• TPSA: 334.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.62
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid?

The IUPAC name of 5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid (CID 88689288) is 5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid.

What is the SMILES notation for 5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid?

The canonical SMILES for 5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid is O=C(O)CCCC(=O)OC(=O)CCC(=O)OC(=O)CCCC(=O)OC(=O)/C=C\C(=O)OC(=O)CCCC(=O)OC(=O)CCC(=O)OC(=O)CCCC(=O)O.

What is the InChIKey of 5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid?

The InChIKey is ASANVWOAWXQLCN-ZCXUNETKSA-N. The full InChI is InChI=1S/C32H36O22/c33-19(34)5-1-7-21(37)49-27(43)13-15-29(45)51-23(39)9-3-11-25(41)53-31(47)17-18-32(48)54-26(42)12-4-10-24(40)52-30(46)16-14-28(44)50-22(38)8-2-6-20(35)36/h17-18H,1-16H2,(H,33,34)(H,35,36)/b18-17-.

What are the key properties of 5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid?

5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid has a molecular weight of 772.62 g/mol, XLogP of 0.37, 24 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[5-[(Z)-4-[5-[4-(4-carboxybutanoyloxy)-4-oxobutanoyl]oxy-5-oxopentanoyl]oxy-4-oxobut-2-enoyl]oxy-5-oxopentanoyl]oxy-4-oxobutanoyl]oxy-5-oxopentanoic acid is sourced from PubChem (CID 88689288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).