Lenoremycin

Base Information

• Chemical Name: Lenoremycin
• CAS No.: 51257-84-2
• Molecular Formula: C47H78 O13
• Molecular Weight: 851.25
• DSSTox Substance ID: DTXSID701318162
• Nikkaji Number: J3.615.028I
• Wikidata: Q105155501
• ChEMBL ID: CHEMBL4098414
• Mol file: 51257-84-2.mol

Synonyms:A 130;A-130;A-130A;A-130A monosilver (+1) salt;A-130A, antibiotic A 130 (sodium salt);A-130A, monosodium salt;lenoremycin;Ro 21-6150

Chemical Property of Lenoremycin

Chemical Property:

• Refractive Index: 1.5940 (estimate)
• Boiling Point: 875.5°Cat760mmHg
• PKA: 4.59±0.21(Predicted)
• Flash Point: 245.4°C
• PSA: 168.67000
• Density: 1.18g/cm³
• LogP: 7.17880
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 13
• Exact Mass: 850.54424254
• Heavy Atom Count: 60
• Complexity: 1540

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(OC12C(CC(O2)C3C(CC(C(O3)(CO)O)C)C)C)C4(CCC5(O4)C(C(CC(O5)C(C)C=C(C)C(=O)C(C)CC(C)C(=O)O)OC6CCC(C(O6)C)OC)C)C
• Isomeric SMILES: C[C@@H]1CC[C@@H](O[C@@]12[C@H](C[C@@H](O2)[C@@H]3[C@H](C[C@H]([C@@](O3)(CO)O)C)C)C)[C@@]4(CC[C@@]5(O4)[C@@H]([C@@H](C[C@H](O5)[C@@H](C)/C=C(\C)/C(=O)[C@H](C)C[C@H](C)C(=O)O)O[C@H]6CC[C@@H]([C@H](O6)C)OC)C)C