N-{1-[(5-Formyl-7-hydroxy-1-{[1-hydroxy-2-(methylamino)propylidene]amino}-4,4-dimethyl-3,6-dioxodec-9-en-5-yl)(methyl)amino]-3-methyl-1-oxopent-4-en-2-yl}-3-methylpyrrolidine-2-carboximidic acid

Base Information

• Chemical Name: N-{1-[(5-Formyl-7-hydroxy-1-{[1-hydroxy-2-(methylamino)propylidene]amino}-4,4-dimethyl-3,6-dioxodec-9-en-5-yl)(methyl)amino]-3-methyl-1-oxopent-4-en-2-yl}-3-methylpyrrolidine-2-carboximidic acid
• CAS No.: 55466-29-0
• Molecular Formula: C30H49 N5 O7
• Molecular Weight: 591.74
• DSSTox Substance ID: DTXSID30970803
• Wikidata: Q82954058
• Mol file: 55466-29-0.mol

Synonyms:DTXSID30970803;N-{1-[(5-Formyl-7-hydroxy-1-{[1-hydroxy-2-(methylamino)propylidene]amino}-4,4-dimethyl-3,6-dioxodec-9-en-5-yl)(methyl)amino]-3-methyl-1-oxopent-4-en-2-yl}-3-methylpyrrolidine-2-carboximidic acid

Chemical Property of N-{1-[(5-Formyl-7-hydroxy-1-{[1-hydroxy-2-(methylamino)propylidene]amino}-4,4-dimethyl-3,6-dioxodec-9-en-5-yl)(methyl)amino]-3-methyl-1-oxopent-4-en-2-yl}-3-methylpyrrolidine-2-carboximidic acid

Chemical Property:

• Vapor Pressure: 1.21E-30mmHg at 25°C
• Boiling Point: 813.5°C at 760 mmHg
• Flash Point: 445.8°C
• PSA: 145.43000
• Density: 1.128g/cm³
• LogP: 1.56330
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 18
• Exact Mass: 591.36319892
• Heavy Atom Count: 42
• Complexity: 1050

Purity/Quality:

ROSEOTOXIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCNC1C(=O)NC(C(C)C=C)C(=O)N(C)C(C=O)(C(=O)C(CC=C)O)C(C)(C)C(=O)CCNC(=O)C(C)NC
• Isomeric SMILES: C[C@H]1CCN[C@@H]1C(=O)N[C@@H]([C@@H](C)C=C)C(=O)N(C)[C@](C=O)(C(=O)C(CC=C)O)C(C)(C)C(=O)CCNC(=O)[C@H](C)NC