(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxo-24-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid

C36H46O9 — CID 163057182

About (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxo-24-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid

(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxo-24-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid (PubChem CID 163057182) has the molecular formula C36H46O9 and a molecular weight of 622.76 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxo-24-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid.

Molecular Properties

• Compound Name: (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxo-24-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid
• PubChem CID: 163057182
• Molecular Formula: C36H46O9
• Molecular Weight: 622.76 g/mol
• Exact Mass: 622.31
• IUPAC Name: (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxo-24-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid
• SMILES: CC(/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)C(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C36H46O9/c1-24(15-9-17-26(3)19-11-21-28(5)34(41)42)13-7-8-14-25(2)16-10-18-27(4)20-12-22-29(6)35(43)45-36-33(40)32(39)31(38)30(23-37)44-36/h7-22,30-33,36-40H,23H2,1-6H3,(H,41,42)/b8-7+,15-9+,16-10+,19-11+,20-12+,24-13+,25-14+,26-17+,27-18+,28-21+,29-22+/t30-,31+,32-,33-,36-/m0/s1
• InChIKey: XAPKOWJMHPKSFE-JDXMRDTHSA-N
• XLogP: 4.87
• TPSA: 153.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	622.76
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxo-24-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid?

The IUPAC name of (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxo-24-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid (CID 163057182) is (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxo-24-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid.

What is the SMILES notation for (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxo-24-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid?

The canonical SMILES for (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxo-24-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid is CC(/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)C(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.

What is the InChIKey of (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxo-24-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid?

The InChIKey is XAPKOWJMHPKSFE-JDXMRDTHSA-N. The full InChI is InChI=1S/C36H46O9/c1-24(15-9-17-26(3)19-11-21-28(5)34(41)42)13-7-8-14-25(2)16-10-18-27(4)20-12-22-29(6)35(43)45-36-33(40)32(39)31(38)30(23-37)44-36/h7-22,30-33,36-40H,23H2,1-6H3,(H,41,42)/b8-7+,15-9+,16-10+,19-11+,20-12+,24-13+,25-14+,26-17+,27-18+,28-21+,29-22+/t30-,31+,32-,33-,36-/m0/s1.

What are the key properties of (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxo-24-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid?

(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxo-24-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid has a molecular weight of 622.76 g/mol, XLogP of 4.87, 14 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyl-24-oxo-24-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid is sourced from PubChem (CID 163057182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).