N-Demethylansamitocin P 3

Base Information

• Chemical Name: N-Demethylansamitocin P 3
• CAS No.: 77353-69-6
• Molecular Formula: C31H41 Cl N2 O9
• Molecular Weight: 621.11824
• DSSTox Substance ID: DTXSID90228079
• Wikidata: Q76388057
• Mol file: 77353-69-6.mol

Synonyms:Ansamitocin pdm-3;N-Demethylansamitocin P 3;N-Demethylansamitocin P-3;Antibiotic C 15003PND-3;Antibiotic C-15003 pdm-3;77353-69-6;Maytansine, 2'-de(acetylmethylamino)-22-demethyl-2'-methyl-;[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-methylpropanoate;pnd3;N-Demethyl-AP-3;PND-3;C31H41ClN2O9;C-15003 pnd-3;NIOSH/OQ2292440;DTXSID90228079;CHEBI:138857;LS-89370;HY-139106;CS-0179608;OQ22924400;C20138;3-De(2-(acetylmethylamino)propionyloxy)-N-demethyl-3-hydroxymaytansine 3-isobutyrate;Maytansine, 3-de(2-(acetylmethylamino)propionyloxy)-N-demethyl-3-hydroxy-, 3-isobutyrate

Chemical Property of N-Demethylansamitocin P 3

Chemical Property:

• Vapor Pressure: 9.88E-27mmHg at 25°C
• Boiling Point: 796.1°C at 760 mmHg
• Flash Point: 435.3°C
• PSA: 151.93000
• Density: 1.31g/cm³
• LogP: 4.02440
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 620.2500586
• Heavy Atom Count: 43
• Complexity: 1110

Purity/Quality:

99.90% ^*data from raw suppliers

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)CC(C4(C1O4)C)OC(=O)C(C)C)C)OC)(NC(=O)O2)O
• Isomeric SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)NC(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C(C)C)\C)OC)(NC(=O)O2)O