(2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate

C74H136N8O38 — CID 91264707

About (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate

(2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate (PubChem CID 91264707) has the molecular formula C74H136N8O38 and a molecular weight of 1745.92 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate.

Molecular Properties

• Compound Name: (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate
• PubChem CID: 91264707
• Molecular Formula: C74H136N8O38
• Molecular Weight: 1745.92 g/mol
• Exact Mass: 1744.90
• IUPAC Name: (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate
• SMILES: COCCOCCOCC(=O)NCCOCCOCC(COCCOCCNC(=O)COCCOCCOC)OCC(=O)NCCOCCOCC(COCCOCCNC(=O)COC(COCCOCCNC(=O)COCCOCCOC)COCCOCCNC(=O)COCCOCCOC)OCC(=O)NCCC(=O)On1c(O)ccc1O
• InChI: InChI=1S/C74H136N8O38/c1-93-21-25-103-35-45-113-55-65(83)76-9-15-97-29-39-109-51-63(52-110-40-30-98-16-10-77-66(84)56-114-46-36-104-26-22-94-2)118-60-70(88)80-13-19-101-33-43-107-49-62(117-59-69(87)75-8-7-74(92)120-82-72(90)5-6-73(82)91)50-108-44-34-102-20-14-81-71(89)61-119-64(53-111-41-31-99-17-11-78-67(85)57-115-47-37-105-27-23-95-3)54-112-42-32-100-18-12-79-68(86)58-116-48-38-106-28-24-96-4/h5-6,62-64,90-91H,7-61H2,1-4H3,(H,75,87)(H,76,83)(H,77,84)(H,78,85)(H,79,86)(H,80,88)(H,81,89)
• InChIKey: UKZKSNHOTHBYBE-UHFFFAOYSA-N
• XLogP: -5.87
• TPSA: 524.60 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 93
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1745.92
LogP ≤ 5	-5.87
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate?

The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate (CID 91264707) is (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate.

What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate?

The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate is COCCOCCOCC(=O)NCCOCCOCC(COCCOCCNC(=O)COCCOCCOC)OCC(=O)NCCOCCOCC(COCCOCCNC(=O)COC(COCCOCCNC(=O)COCCOCCOC)COCCOCCNC(=O)COCCOCCOC)OCC(=O)NCCC(=O)On1c(O)ccc1O.

What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate?

The InChIKey is UKZKSNHOTHBYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H136N8O38/c1-93-21-25-103-35-45-113-55-65(83)76-9-15-97-29-39-109-51-63(52-110-40-30-98-16-10-77-66(84)56-114-46-36-104-26-22-94-2)118-60-70(88)80-13-19-101-33-43-107-49-62(117-59-69(87)75-8-7-74(92)120-82-72(90)5-6-73(82)91)50-108-44-34-102-20-14-81-71(89)61-119-64(53-111-41-31-99-17-11-78-67(85)57-115-47-37-105-27-23-95-3)54-112-42-32-100-18-12-79-68(86)58-116-48-38-106-28-24-96-4/h5-6,62-64,90-91H,7-61H2,1-4H3,(H,75,87)(H,76,83)(H,77,84)(H,78,85)(H,79,86)(H,80,88)(H,81,89).

What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate?

(2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate has a molecular weight of 1745.92 g/mol, XLogP of -5.87, 93 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1,3-bis[2-[2-[[2-[1,3-bis[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetyl]amino]propanoate is sourced from PubChem (CID 91264707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).