(2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate

C38H61F5N4O15 — CID 178103582

About (2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate

(2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate (PubChem CID 178103582) has the molecular formula C38H61F5N4O15 and a molecular weight of 908.91 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: (2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate
• PubChem CID: 178103582
• Molecular Formula: C38H61F5N4O15
• Molecular Weight: 908.91 g/mol
• Exact Mass: 908.41
• IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate
• SMILES: N/N=C(\C=N\CCOCCOCCOCCOCCOCCOCCNCCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)CCOC1CC(O)C(O)C(CO)O1
• InChI: InChI=1S/C38H61F5N4O15/c39-32-33(40)35(42)38(36(43)34(32)41)62-30(50)3-8-53-13-12-52-7-1-4-45-5-10-54-14-16-56-18-20-58-22-23-59-21-19-57-17-15-55-11-6-46-25-27(47-44)2-9-60-31-24-28(49)37(51)29(26-48)61-31/h25,28-29,31,37,45,48-49,51H,1-24,26,44H2/b46-25+,47-27-
• InChIKey: CDPPANRRWYAFHP-YLCZOFQESA-N
• XLogP: 0.41
• TPSA: 242.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 38
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.91
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate?

The IUPAC name of (2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate (CID 178103582) is (2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate.

What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate?

The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate is N/N=C(\C=N\CCOCCOCCOCCOCCOCCOCCNCCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)CCOC1CC(O)C(O)C(CO)O1.

What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate?

The InChIKey is CDPPANRRWYAFHP-YLCZOFQESA-N. The full InChI is InChI=1S/C38H61F5N4O15/c39-32-33(40)35(42)38(36(43)34(32)41)62-30(50)3-8-53-13-12-52-7-1-4-45-5-10-54-14-16-56-18-20-58-22-23-59-21-19-57-17-15-55-11-6-46-25-27(47-44)2-9-60-31-24-28(49)37(51)29(26-48)61-31/h25,28-29,31,37,45,48-49,51H,1-24,26,44H2/b46-25+,47-27-.

What are the key properties of (2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate?

(2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate has a molecular weight of 908.91 g/mol, XLogP of 0.41, 38 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[[(2Z)-4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydrazinylidenebutylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]propanoate is sourced from PubChem (CID 178103582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).