N-[3-[3-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide

C55H101N7O27 — CID 169075604

About N-[3-[3-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide

N-[3-[3-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide (PubChem CID 169075604) has the molecular formula C55H101N7O27 and a molecular weight of 1292.43 g/mol. Its IUPAC name is N-[3-[3-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide.

Molecular Properties

• Compound Name: N-[3-[3-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
• PubChem CID: 169075604
• Molecular Formula: C55H101N7O27
• Molecular Weight: 1292.43 g/mol
• Exact Mass: 1291.67
• IUPAC Name: N-[3-[3-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
• SMILES: NC(COCCC(=O)NCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)(COCCC(=O)NCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)COCCC(=O)NCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O
• InChI: InChI=1S/C55H101N7O27/c56-55(31-81-25-13-40(69)60-19-7-16-57-37(66)10-1-4-22-84-52-49(78)46(75)43(72)34(28-63)87-52,32-82-26-14-41(70)61-20-8-17-58-38(67)11-2-5-23-85-53-50(79)47(76)44(73)35(29-64)88-53)33-83-27-15-42(71)62-21-9-18-59-39(68)12-3-6-24-86-54-51(80)48(77)45(74)36(30-65)89-54/h34-36,43-54,63-65,72-80H,1-33,56H2,(H,57,66)(H,58,67)(H,59,68)(H,60,69)(H,61,70)(H,62,71)
• InChIKey: WTJBJWXJKYRFLH-UHFFFAOYSA-N
• XLogP: -8.27
• TPSA: 526.45 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 28
• Rotatable Bonds: 48
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1292.43
LogP ≤ 5	-8.27
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	28

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-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?

The IUPAC name of N-[3-[3-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide (CID 169075604) is N-[3-[3-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide.

What is the SMILES notation for N-[3-[3-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?

The canonical SMILES for N-[3-[3-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide is NC(COCCC(=O)NCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)(COCCC(=O)NCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)COCCC(=O)NCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O.

What is the InChIKey of N-[3-[3-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?

The InChIKey is WTJBJWXJKYRFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H101N7O27/c56-55(31-81-25-13-40(69)60-19-7-16-57-37(66)10-1-4-22-84-52-49(78)46(75)43(72)34(28-63)87-52,32-82-26-14-41(70)61-20-8-17-58-38(67)11-2-5-23-85-53-50(79)47(76)44(73)35(29-64)88-53)33-83-27-15-42(71)62-21-9-18-59-39(68)12-3-6-24-86-54-51(80)48(77)45(74)36(30-65)89-54/h34-36,43-54,63-65,72-80H,1-33,56H2,(H,57,66)(H,58,67)(H,59,68)(H,60,69)(H,61,70)(H,62,71).

What are the key properties of N-[3-[3-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?

N-[3-[3-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide has a molecular weight of 1292.43 g/mol, XLogP of -8.27, 48 rotatable bonds, 19 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[2-amino-3-[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]-2-[[3-oxo-3-[3-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]propoxy]methyl]propoxy]propanoylamino]propyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide is sourced from PubChem (CID 169075604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).