(3Z,6S,7R,8E,10E,14E,16S,18Z)-tricosa-3,8,10,14,18-pentaene-6,7,16-triol

C23H38O3 — CID 155162574

About (3Z,6S,7R,8E,10E,14E,16S,18Z)-tricosa-3,8,10,14,18-pentaene-6,7,16-triol

(3Z,6S,7R,8E,10E,14E,16S,18Z)-tricosa-3,8,10,14,18-pentaene-6,7,16-triol (PubChem CID 155162574) has the molecular formula C23H38O3 and a molecular weight of 362.55 g/mol. Its IUPAC name is (3Z,6S,7R,8E,10E,14E,16S,18Z)-tricosa-3,8,10,14,18-pentaene-6,7,16-triol.

Molecular Properties

• Compound Name: (3Z,6S,7R,8E,10E,14E,16S,18Z)-tricosa-3,8,10,14,18-pentaene-6,7,16-triol
• PubChem CID: 155162574
• Molecular Formula: C23H38O3
• Molecular Weight: 362.55 g/mol
• Exact Mass: 362.28
• IUPAC Name: (3Z,6S,7R,8E,10E,14E,16S,18Z)-tricosa-3,8,10,14,18-pentaene-6,7,16-triol
• SMILES: CC/C=C\C[C@H](O)[C@H](O)/C=C/C=C/CC/C=C/[C@@H](O)C/C=C\CCCC
• InChI: InChI=1S/C23H38O3/c1-3-5-7-10-14-17-21(24)18-15-11-8-9-12-16-20-23(26)22(25)19-13-6-4-2/h6,9-10,12-16,18,20-26H,3-5,7-8,11,17,19H2,1-2H3/b12-9+,13-6-,14-10-,18-15+,20-16+/t21-,22-,23+/m0/s1
• InChIKey: GFONPKNZEYRHRQ-IMKYISEQSA-N
• XLogP: 5.01
• TPSA: 60.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.55
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3Z,6S,7R,8E,10E,14E,16S,18Z)-tricosa-3,8,10,14,18-pentaene-6,7,16-triol?

The IUPAC name of (3Z,6S,7R,8E,10E,14E,16S,18Z)-tricosa-3,8,10,14,18-pentaene-6,7,16-triol (CID 155162574) is (3Z,6S,7R,8E,10E,14E,16S,18Z)-tricosa-3,8,10,14,18-pentaene-6,7,16-triol.

What is the SMILES notation for (3Z,6S,7R,8E,10E,14E,16S,18Z)-tricosa-3,8,10,14,18-pentaene-6,7,16-triol?

The canonical SMILES for (3Z,6S,7R,8E,10E,14E,16S,18Z)-tricosa-3,8,10,14,18-pentaene-6,7,16-triol is CC/C=C\C[C@H](O)[C@H](O)/C=C/C=C/CC/C=C/[C@@H](O)C/C=C\CCCC.

What is the InChIKey of (3Z,6S,7R,8E,10E,14E,16S,18Z)-tricosa-3,8,10,14,18-pentaene-6,7,16-triol?

The InChIKey is GFONPKNZEYRHRQ-IMKYISEQSA-N. The full InChI is InChI=1S/C23H38O3/c1-3-5-7-10-14-17-21(24)18-15-11-8-9-12-16-20-23(26)22(25)19-13-6-4-2/h6,9-10,12-16,18,20-26H,3-5,7-8,11,17,19H2,1-2H3/b12-9+,13-6-,14-10-,18-15+,20-16+/t21-,22-,23+/m0/s1.

What are the key properties of (3Z,6S,7R,8E,10E,14E,16S,18Z)-tricosa-3,8,10,14,18-pentaene-6,7,16-triol?

(3Z,6S,7R,8E,10E,14E,16S,18Z)-tricosa-3,8,10,14,18-pentaene-6,7,16-triol has a molecular weight of 362.55 g/mol, XLogP of 5.01, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z,6S,7R,8E,10E,14E,16S,18Z)-tricosa-3,8,10,14,18-pentaene-6,7,16-triol is sourced from PubChem (CID 155162574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).