(Z)-5-[(2R,3S,4S)-4-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]pent-3-enoic acid

Base Information

• Chemical Name: (Z)-5-[(2R,3S,4S)-4-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]pent-3-enoic acid
• CAS No.: 148682-73-9
• Molecular Formula: C18H30 O5
• Molecular Weight: 326.43
• Mol file: 148682-73-9.mol

Synonyms:11-dehydro-2,3-dinor-thromboxane B2;11-dehydro-2,3-dinor-TXB2

Chemical Property of (Z)-5-[(2R,3S,4S)-4-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]pent-3-enoic acid

Chemical Property:

• Vapor Pressure: 3.43E-13mmHg at 25°C
• Boiling Point: 524.5°Cat760mmHg
• PKA: 4.33±0.10(Predicted)
• Flash Point: 183.6°C
• PSA: 86.99000
• Density: 1.14g/cm³
• LogP: 2.67080
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 326.20932405
• Heavy Atom Count: 23
• Complexity: 391

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C=CC1C(C(CCO1)O)CC=CCC(=O)O)O
• Isomeric SMILES: CCCCCC(/C=C/[C@@H]1[C@H]([C@H](CCO1)O)C/C=C\CC(=O)O)O

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