10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide

C64H113N5O30 — CID 157076861

About 10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide

10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide (PubChem CID 157076861) has the molecular formula C64H113N5O30 and a molecular weight of 1432.61 g/mol. Its IUPAC name is 10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide.

Molecular Properties

• Compound Name: 10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide
• PubChem CID: 157076861
• Molecular Formula: C64H113N5O30
• Molecular Weight: 1432.61 g/mol
• Exact Mass: 1431.75
• IUPAC Name: 10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide
• SMILES: COCCCCC(=O)CCCC(=O)NC(CCC(=O)CCCOCCOCCOC1OC(CO)C(O)C(O)C1NC(C)=O)(CCC(=O)CCCOCCOCCOC1OC(CO)C(O)C(O)C1NC(C)=O)CCC(=O)NCCOCCOCCOC1OC(CO)C(O)C(O)C1NC(C)=O
• InChI: InChI=1S/C64H113N5O30/c1-41(73)66-52-58(84)55(81)47(38-70)97-61(52)94-35-32-91-29-26-88-23-8-12-45(77)15-18-64(69-51(80)14-7-11-44(76)10-5-6-22-87-4,19-16-46(78)13-9-24-89-27-30-92-33-36-95-62-53(67-42(2)74)59(85)56(82)48(39-71)98-62)20-17-50(79)65-21-25-90-28-31-93-34-37-96-63-54(68-43(3)75)60(86)57(83)49(40-72)99-63/h47-49,52-63,70-72,81-86H,5-40H2,1-4H3,(H,65,79)(H,66,73)(H,67,74)(H,68,75)(H,69,80)
• InChIKey: SQNNXCZODVSKQQ-UHFFFAOYSA-N
• XLogP: -4.47
• TPSA: 498.77 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 57
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1432.61
LogP ≤ 5	-4.47
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide?

The IUPAC name of 10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide (CID 157076861) is 10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide.

What is the SMILES notation for 10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide?

The canonical SMILES for 10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide is COCCCCC(=O)CCCC(=O)NC(CCC(=O)CCCOCCOCCOC1OC(CO)C(O)C(O)C1NC(C)=O)(CCC(=O)CCCOCCOCCOC1OC(CO)C(O)C(O)C1NC(C)=O)CCC(=O)NCCOCCOCCOC1OC(CO)C(O)C(O)C1NC(C)=O.

What is the InChIKey of 10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide?

The InChIKey is SQNNXCZODVSKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H113N5O30/c1-41(73)66-52-58(84)55(81)47(38-70)97-61(52)94-35-32-91-29-26-88-23-8-12-45(77)15-18-64(69-51(80)14-7-11-44(76)10-5-6-22-87-4,19-16-46(78)13-9-24-89-27-30-92-33-36-95-62-53(67-42(2)74)59(85)56(82)48(39-71)98-62)20-17-50(79)65-21-25-90-28-31-93-34-37-96-63-54(68-43(3)75)60(86)57(83)49(40-72)99-63/h47-49,52-63,70-72,81-86H,5-40H2,1-4H3,(H,65,79)(H,66,73)(H,67,74)(H,68,75)(H,69,80).

What are the key properties of 10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide?

10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide has a molecular weight of 1432.61 g/mol, XLogP of -4.47, 57 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide is sourced from PubChem (CID 157076861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).