Ristocetin psi-aglycone

Base Information

• Chemical Name: Ristocetin psi-aglycone
• CAS No.: 73412-13-2
• Deprecated CAS: 73299-58-8,74709-65-2
• Molecular Formula: C66H62N8O21
• Molecular Weight: 1303.26
• Mol file: 73412-13-2.mol

Synonyms:ristocetin-psi-aglycone

Chemical Property of Ristocetin psi-aglycone

Chemical Property:

• PSA: 460.93000
• LogP: 6.78650
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 4
• Exact Mass: 1302.40295102
• Heavy Atom Count: 95
• Complexity: 2760

Purity/Quality:

99% ^*data from raw suppliers

RISTOCETIN-PSI-AGLYCONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2C3C(=O)NC(C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)C(C(=O)N3)NC(=O)C6C7=CC(=C(C(=C7)OC8=CC=C2C=C8)O)OC9=CC=C(C=C9)C(C1C(=O)NC(C2=CC(=C(C(=C2)OC2=C(C=CC(=C2)C(C(=O)N1)N)O)C)O)C(=O)N6)O)O)C(=O)OC)N)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=CC=C2C=C8)O)OC9=CC=C(C=C9)[C@H]([C@@H]1C(=O)N[C@@H](C2=CC(=C(C(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N1)N)O)C)O)C(=O)N6)O)O)C(=O)OC)N)O