Isoscrophulariosid

Base Information

• Chemical Name: Isoscrophulariosid
• CAS No.: 25654-86-8
• Molecular Formula: C24H28 O10
• Molecular Weight: 476.4731
• NSC Number: 362012
• DSSTox Substance ID: DTXSID10419588
• Wikidata: Q82230663
• ChEMBL ID: CHEMBL2000374
• Mol file: 25654-86-8.mol

Synonyms:NSC362012;25654-86-8;Isoscrophulariosid;Isoscrophularioside;SCROPHULARIOSID ISO;CHEMBL2000374;DTXSID10419588;NSC-362012

Chemical Property of Isoscrophulariosid

Chemical Property:

• Vapor Pressure: 8.02E-23mmHg at 25°C
• Boiling Point: 737.3°Cat760mmHg
• Flash Point: 252.4°C
• Density: 1.48g/cm³
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 476.16824709
• Heavy Atom Count: 34
• Complexity: 789

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)OCC2=CC(C3C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C(=O)OCC2=C[C@H]([C@H]3[C@@H]2[C@@H](OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O

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