3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoic acid

C40H61NO16 — CID 91410268

About 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoic acid

3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoic acid (PubChem CID 91410268) has the molecular formula C40H61NO16 and a molecular weight of 811.92 g/mol. Its IUPAC name is 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoic acid.

Molecular Properties

• Compound Name: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoic acid
• PubChem CID: 91410268
• Molecular Formula: C40H61NO16
• Molecular Weight: 811.92 g/mol
• Exact Mass: 811.40
• IUPAC Name: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoic acid
• SMILES: O=C(O)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C40H61NO16/c42-9-10-47-11-12-48-13-14-49-15-16-50-17-18-51-19-20-52-21-22-53-23-24-54-25-26-55-27-28-56-31-38(43)37(29-39(44)45)41-40(46)57-30-36-34-7-3-1-5-32(34)33-6-2-4-8-35(33)36/h1-8,36-38,42-43H,9-31H2,(H,41,46)(H,44,45)
• InChIKey: PACIPNCUDZPJNS-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 208.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 37
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.92
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoic acid?

The IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoic acid (CID 91410268) is 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoic acid.

What is the SMILES notation for 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoic acid?

The canonical SMILES for 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoic acid is O=C(O)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO.

What is the InChIKey of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoic acid?

The InChIKey is PACIPNCUDZPJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H61NO16/c42-9-10-47-11-12-48-13-14-49-15-16-50-17-18-51-19-20-52-21-22-53-23-24-54-25-26-55-27-28-56-31-38(43)37(29-39(44)45)41-40(46)57-30-36-34-7-3-1-5-32(34)33-6-2-4-8-35(33)36/h1-8,36-38,42-43H,9-31H2,(H,41,46)(H,44,45).

What are the key properties of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoic acid?

3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoic acid has a molecular weight of 811.92 g/mol, XLogP of 1.89, 37 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentanoic acid is sourced from PubChem (CID 91410268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).