(7S,9R,10R)-9-ethyl-4,6,9,10,11-pentahydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione

Base Information

• Chemical Name: (7S,9R,10R)-9-ethyl-4,6,9,10,11-pentahydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione
• CAS No.: 105026-50-4
• Molecular Formula: C30H35 N O11
• Molecular Weight: 585.61
• UNII: G0J883CJ9M
• Nikkaji Number: J503.853G
• Mol file: 105026-50-4.mol

Synonyms:3'-deamino-3'-morpholino-13-deoxy-10-hydroxycarminomycin;KRN 8602;KRN-8602;morpholinoanthracycline MX-2;morpholinoanthracycline MX2;MX-2

Chemical Property of (7S,9R,10R)-9-ethyl-4,6,9,10,11-pentahydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione

Chemical Property:

• Vapor Pressure: 2.24E-22mmHg at 25°C
• Boiling Point: 730.1°Cat760mmHg
• Flash Point: 395.4°C
• PSA: 186.45000
• Density: 1.58g/cm³
• LogP: 1.34920
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 585.22101093
• Heavy Atom Count: 42
• Complexity: 1020

Purity/Quality:

99% ^*data from raw suppliers

MX2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CC(C2=C(C1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)O)N6CCOCC6)O
• Isomeric SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N6CCOCC6)O