(3E,7E)-2-hydroxy-8-[[(2R)-2-[[(E,5S,6S)-5-hydroxy-6-[(2R,3R)-3-phenyloxiran-2-yl]hept-2-enyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-4-methyl-6-oxonona-3,7-dienoic acid

Base Information

• Chemical Name: (3E,7E)-2-hydroxy-8-[[(2R)-2-[[(E,5S,6S)-5-hydroxy-6-[(2R,3R)-3-phenyloxiran-2-yl]hept-2-enyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-4-methyl-6-oxonona-3,7-dienoic acid
• CAS No.: 155645-50-4
• Molecular Formula: C35H44 N2 O8
• Molecular Weight: 620.74
• Mol file: 155645-50-4.mol

Synonyms:cryptophycin B

Chemical Property of (3E,7E)-2-hydroxy-8-[[(2R)-2-[[(E,5S,6S)-5-hydroxy-6-[(2R,3R)-3-phenyloxiran-2-yl]hept-2-enyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-4-methyl-6-oxonona-3,7-dienoic acid

Chemical Property:

• Vapor Pressure: 2.12E-32mmHg at 25°C
• Boiling Point: 870.8°Cat760mmHg
• Flash Point: 480.5°C
• PSA: 161.21000
• Density: 1.219g/cm³
• LogP: 4.88150
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 18
• Exact Mass: 620.30976637
• Heavy Atom Count: 45
• Complexity: 1060

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1C(O1)C2=CC=CC=C2)C(CC=CCNC(CC3=CC=C(C=C3)OC)C(=O)NC(=CC(=O)CC(=CC(C(=O)O)O)C)C)O
• Isomeric SMILES: C[C@H]([C@@H]1[C@H](O1)C2=CC=CC=C2)[C@H](C/C=C/CN[C@H](CC3=CC=C(C=C3)OC)C(=O)N/C(=C/C(=O)C/C(=C/C(C(=O)O)O)/C)/C)O