methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-3-methyl-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate

Base Information

• Chemical Name: methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-3-methyl-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
• CAS No.: 102130-27-8
• Molecular Formula: C25H36 O5
• Molecular Weight: 416.55034
• Mol file: 102130-27-8.mol

Synonyms:15-me-17-ph-TN-PGF2 ME;15-methyl-17-phenyl-18,19,20-trinorprostaglandin F2 alpha methyl ester;15-methyl-17-phenyl-18,19,20-trinorprostaglandin F2 alpha methyl ester, (15R)-isomer

Chemical Property of methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-3-methyl-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate

Chemical Property:

• Vapor Pressure: 1.63E-13mmHg at 25°C
• Boiling Point: 563°Cat760mmHg
• Flash Point: 183.6°C
• PSA: 86.99000
• Density: 1.156g/cm³
• LogP: 3.57390
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 416.25627424
• Heavy Atom Count: 30
• Complexity: 566

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC1=CC=CC=C1)(C=CC2C(CC(C2CC=CCCCC(=O)OC)O)O)O
• Isomeric SMILES: CC(CCC1=CC=CC=C1)(/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)OC)O)O)O