6-Hydroxyscytophycin B

Base Information

• Chemical Name: 6-Hydroxyscytophycin B
• CAS No.: 132368-18-4
• Molecular Formula: C45H73 N O13
• Molecular Weight: 836.06
• DSSTox Substance ID: DTXSID201046186
• Wikidata: Q104203022
• Metabolomics Workbench ID: 139986
• Mol file: 132368-18-4.mol

Synonyms:6-hydroxyscytophycin B

Chemical Property of 6-Hydroxyscytophycin B

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 929.4°C at 760 mmHg
• PKA: 13.33±0.70(Predicted)
• Flash Point: 515.9°C
• PSA: 183.05000
• Density: 1.16g/cm³
• LogP: 4.97760
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 15
• Exact Mass: 835.50819138
• Heavy Atom Count: 59
• Complexity: 1450

Purity/Quality:

98%min ^*data from raw suppliers

6-HYDROXYSCYTOPHYCIN B 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: other cyclic non-peptide
• Canonical SMILES: CC1C(CC(C2(CO2)C(CC3CC=CC(O3)CC(C(C=C(C=CC(=O)OC1C(C)C(C(C)CCC(=O)C(C)C(C(C)C=CN(C)C=O)OC)O)C)O)O)OC)OC)OC
• Isomeric SMILES: C[C@H]1[C@@H](C[C@@H]([C@]2(CO2)[C@H](C[C@@H]3CC=C[C@H](O3)C[C@H]([C@H](/C=C(/C=C/C(=O)O[C@@H]1[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC)O)\C)O)O)OC)OC)OC