(3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol

C25H39NO2 — CID 89285225

IUPAC(3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol
SMILESC=C(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CC)NCCO
InChIInChI=1S/C25H39NO2/c1-3-4-16-20-25(28)21-18-15-13-11-9-7-5-6-8-10-12-14-17-19-24(2)26-22-23-27/h4,6-9,12-16,18,21,25-28H,2-3,5,10-11,17,19-20,22-23H2,1H3/b8-6-,9-7-,14-12-,15-13-,16-4-,21-18+/t25-/m0/s1
InChIKeyWQHRAMNQGVLAOE-TYCGBCHSSA-N
MW385.59 g/mol
LogP5.53
Rot. Bonds17

About (3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol

(3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol (PubChem CID 89285225) has the molecular formula C25H39NO2 and a molecular weight of 385.59 g/mol. Its IUPAC name is (3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol.

Molecular Properties

Compound Name(3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol
PubChem CID89285225
Molecular FormulaC25H39NO2
Molecular Weight385.59 g/mol
Exact Mass385.30
IUPAC Name(3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol
SMILESC=C(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CC)NCCO
InChIInChI=1S/C25H39NO2/c1-3-4-16-20-25(28)21-18-15-13-11-9-7-5-6-8-10-12-14-17-19-24(2)26-22-23-27/h4,6-9,12-16,18,21,25-28H,2-3,5,10-11,17,19-20,22-23H2,1H3/b8-6-,9-7-,14-12-,15-13-,16-4-,21-18+/t25-/m0/s1
InChIKeyWQHRAMNQGVLAOE-TYCGBCHSSA-N
XLogP5.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol?
The IUPAC name of (3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol (CID 89285225) is (3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol.
What is the SMILES notation for (3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol?
The canonical SMILES for (3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol is C=C(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CC)NCCO.
What is the InChIKey of (3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol?
The InChIKey is WQHRAMNQGVLAOE-TYCGBCHSSA-N. The full InChI is InChI=1S/C25H39NO2/c1-3-4-16-20-25(28)21-18-15-13-11-9-7-5-6-8-10-12-14-17-19-24(2)26-22-23-27/h4,6-9,12-16,18,21,25-28H,2-3,5,10-11,17,19-20,22-23H2,1H3/b8-6-,9-7-,14-12-,15-13-,16-4-,21-18+/t25-/m0/s1.
What are the key properties of (3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol?
(3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol has a molecular weight of 385.59 g/mol, XLogP of 5.53, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6S,7E,9Z,12Z,15Z,18Z)-22-(2-hydroxyethylamino)tricosa-3,7,9,12,15,18,22-heptaen-6-ol is sourced from PubChem (CID 89285225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).