(10R,13R,16R,19S)-16-butan-2-yl-3-(3-chloro-2-hydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone

Base Information

• Chemical Name: (10R,13R,16R,19S)-16-butan-2-yl-3-(3-chloro-2-hydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
• CAS No.: 121723-07-7
• Molecular Formula: C29H48 Cl N5 O8
• Molecular Weight: 630.17
• DSSTox Substance ID: DTXSID60420063
• Mol file: 121723-07-7.mol

Synonyms:Chlorodestruxin;(10R,13R,16R,19S)-16-butan-2-yl-3-(3-chloro-2-hydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone;121723-07-7;NSC644211;DTXSID60420063

Chemical Property of (10R,13R,16R,19S)-16-butan-2-yl-3-(3-chloro-2-hydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 938.3°C at 760 mmHg
• Flash Point: 521.3°C
• PSA: 165.66000
• Density: 1.26g/cm³
• LogP: 0.73100
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 629.3191412
• Heavy Atom Count: 43
• Complexity: 1040

Purity/Quality:

98%Min ^*data from raw suppliers

DESTRUXIN CHL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(CCl)O)C)C)C(C)C)C
• Isomeric SMILES: CCC(C)[C@@H]1C(=O)N([C@@H](C(=O)N([C@@H](C(=O)NCCC(=O)OC(C(=O)N2CCC[C@H]2C(=O)N1)CC(CCl)O)C)C)C(C)C)C