N-[3-[3-[3-[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]propyl]-5-[5-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide

C59H108N6O23 — CID 161065947

About N-[3-[3-[3-[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]propyl]-5-[5-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide

N-[3-[3-[3-[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]propyl]-5-[5-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide (PubChem CID 161065947) has the molecular formula C59H108N6O23 and a molecular weight of 1269.53 g/mol. Its IUPAC name is N-[3-[3-[3-[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]propyl]-5-[5-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide.

Molecular Properties

• Compound Name: N-[3-[3-[3-[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]propyl]-5-[5-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide
• PubChem CID: 161065947
• Molecular Formula: C59H108N6O23
• Molecular Weight: 1269.53 g/mol
• Exact Mass: 1268.75
• IUPAC Name: N-[3-[3-[3-[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]propyl]-5-[5-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide
• SMILES: CC1CC(O)C(CO)OC1OCCCCC(=O)NCCCNC(=O)CCOCC(C)(COCCC(=O)NCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C)COCCC(=O)NCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C
• InChI: InChI=1S/C59H108N6O23/c1-39-32-42(69)43(33-66)86-56(39)83-26-8-5-14-46(70)60-20-11-23-63-49(73)17-29-80-36-59(4,37-81-30-18-50(74)64-24-12-21-61-47(71)15-6-9-27-84-57-40(2)52(76)54(78)44(34-67)87-57)38-82-31-19-51(75)65-25-13-22-62-48(72)16-7-10-28-85-58-41(3)53(77)55(79)45(35-68)88-58/h39-45,52-58,66-69,76-79H,5-38H2,1-4H3,(H,60,70)(H,61,71)(H,62,72)(H,63,73)(H,64,74)(H,65,75)
• InChIKey: UEAGKPJOPXJMLM-UHFFFAOYSA-N
• XLogP: -2.10
• TPSA: 419.51 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 23
• Rotatable Bonds: 48
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1269.53
LogP ≤ 5	-2.10
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]propyl]-5-[5-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide?

The IUPAC name of N-[3-[3-[3-[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]propyl]-5-[5-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide (CID 161065947) is N-[3-[3-[3-[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]propyl]-5-[5-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide.

What is the SMILES notation for N-[3-[3-[3-[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]propyl]-5-[5-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide?

The canonical SMILES for N-[3-[3-[3-[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]propyl]-5-[5-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide is CC1CC(O)C(CO)OC1OCCCCC(=O)NCCCNC(=O)CCOCC(C)(COCCC(=O)NCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C)COCCC(=O)NCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1C.

What is the InChIKey of N-[3-[3-[3-[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]propyl]-5-[5-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide?

The InChIKey is UEAGKPJOPXJMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H108N6O23/c1-39-32-42(69)43(33-66)86-56(39)83-26-8-5-14-46(70)60-20-11-23-63-49(73)17-29-80-36-59(4,37-81-30-18-50(74)64-24-12-21-61-47(71)15-6-9-27-84-57-40(2)52(76)54(78)44(34-67)87-57)38-82-31-19-51(75)65-25-13-22-62-48(72)16-7-10-28-85-58-41(3)53(77)55(79)45(35-68)88-58/h39-45,52-58,66-69,76-79H,5-38H2,1-4H3,(H,60,70)(H,61,71)(H,62,72)(H,63,73)(H,64,74)(H,65,75).

What are the key properties of N-[3-[3-[3-[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]propyl]-5-[5-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide?

N-[3-[3-[3-[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]propyl]-5-[5-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide has a molecular weight of 1269.53 g/mol, XLogP of -2.10, 48 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[3-[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]propyl]-5-[5-hydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanamide is sourced from PubChem (CID 161065947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).