Maysine, 22-demethyl-

Base Information

• Chemical Name: Maysine, 22-demethyl-
• CAS No.: 52978-29-7
• Molecular Formula: C27H33ClN2O7
• Molecular Weight: 533.0131

Synonyms:Normaysine;Maysine, 22-demethyl-;22-Demethylmaysine;NSC 219973;52978-29-7;(2E)-3-De(2-(acetylmethylamino)-1-oxopropoxy)-2,3-didehydro-22-demethylmaytansine;Maytansine, 3-de(2-(acetylmethylamino)-1-oxopropoxy)-2,3-didehydro-22-demethyl-, (2E)-;C27H33ClN2O7;C27-H33-Cl-N2-O7

Chemical Property of Maysine, 22-demethyl-

Chemical Property:

• Vapor Pressure: 5.14E-25mmHg at 25°C
• Boiling Point: 771.1°Cat760mmHg
• Flash Point: 420.2°C
• PSA: 118.65000
• Density: 1.33g/cm³
• LogP: 4.36440
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 532.1976291
• Heavy Atom Count: 37
• Complexity: 970

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)NC(=O)C=CC4(C1O4)C)C)OC)(NC(=O)O2)O
• Isomeric SMILES: CC1C2CC(C(/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)NC(=O)/C=C\C4(C1O4)C)\C)OC)(NC(=O)O2)O

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