CID 6916298

Base Information

• Chemical Name: CID 6916298
• CAS No.: 15271-73-5
• Molecular Formula: C39H47 N O15
• Molecular Weight: 769.79
• NSC Number: 145655
• DSSTox Substance ID: DTXSID60426025
• Mol file: 15271-73-5.mol

Synonyms:15271-73-5;NSC145655;2-[[(9Z,19Z,21Z)-13-Acetyloxy-2,15,18,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,17,23-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-27-yl]oxy]acetic acid;4-O-Carboxymethyl-21-deoxy-20-hydroxy-21-oxorifamycin;DTXSID60426025;NSC-145655

Chemical Property of CID 6916298

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 935.3°C at 760 mmHg
• PKA: 2.69±0.10(Predicted)
• Flash Point: 519.4°C
• PSA: 244.68000
• Density: 1.41g/cm³
• LogP: 3.97300
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 769.29456979
• Heavy Atom Count: 55
• Complexity: 1560

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C=COC2(C(=O)C3=C(O2)C(=C(C4=C(C(=CC(=C43)OCC(=O)O)NC(=O)C(=CC=CC(C(=O)C(C(C(C1OC(=O)C)C)O)C)(C)O)C)O)O)C)C)OC
• Isomeric SMILES: CC1C(/C=C\OC2(C(=O)C3=C(O2)C(=C(C4=C(C(=CC(=C43)OCC(=O)O)NC(=O)/C(=C\C=C/C(C(=O)C(C(C(C1OC(=O)C)C)O)C)(C)O)/C)O)O)C)C)OC