methyl (2E,4E,8E)-15-(5-amino-2-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-7-carbamoyloxy-11-hydroxy-6,12-dimethoxy-2,8,10,14-tetramethylpentadeca-2,4,8-trienoate

Base Information

• Chemical Name: methyl (2E,4E,8E)-15-(5-amino-2-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-7-carbamoyloxy-11-hydroxy-6,12-dimethoxy-2,8,10,14-tetramethylpentadeca-2,4,8-trienoate
• CAS No.: 30674-68-1
• Molecular Formula: C30H44 N2 O10
• Molecular Weight: 592.6778
• NSC Number: 212519
• DSSTox Substance ID: DTXSID80423051
• Mol file: 30674-68-1.mol

Synonyms:Methyl geldanamycinate;30674-68-1;NSC212519;DTXSID80423051;NSC-212519

Chemical Property of methyl (2E,4E,8E)-15-(5-amino-2-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-7-carbamoyloxy-11-hydroxy-6,12-dimethoxy-2,8,10,14-tetramethylpentadeca-2,4,8-trienoate

Chemical Property:

• Vapor Pressure: 1.08E-28mmHg at 25°C
• Boiling Point: 787.9°Cat760mmHg
• Flash Point: 430.3°C
• Density: 1.2g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 18
• Exact Mass: 592.29959560
• Heavy Atom Count: 42
• Complexity: 1150

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=C(C(=O)C=C(C1=O)N)OC)CC(C(C(C)C=C(C)C(C(C=CC=C(C)C(=O)OC)OC)OC(=O)N)O)OC
• Isomeric SMILES: CC(CC1=C(C(=O)C=C(C1=O)N)OC)CC(C(C(C)/C=C(\C)/C(C(/C=C/C=C(\C)/C(=O)OC)OC)OC(=O)N)O)OC