Aglycoristocetin

Base Information

• Chemical Name: Aglycoristocetin
• CAS No.: 73201-25-9
• Molecular Formula: C60H51N7O19
• Molecular Weight: 1174.1
• European Community (EC) Number: 277-318-3
• ChEMBL ID: CHEMBL2151346
• Mol file: 73201-25-9.mol

Synonyms:Aglycoristocetin;Ristomycin aglycon;CHEMBL2151346;73201-25-9;NS00124250;methyl amino-octahydroxy-methyl-hexaoxo-[?]carboxylate

Chemical Property of Aglycoristocetin

Chemical Property:

• PSA: 416.45000
• LogP: 6.23880
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 2
• Exact Mass: 1173.32397242
• Heavy Atom Count: 86
• Complexity: 2480

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C2C=C1OC3=C(C=CC(=C3)C(C(=O)NC4C(C5=CC=C(C=C5)OC6=C(C7=CC(=C6)C(C(=O)NC8C9=CC(=C(C=C9)O)C1=C(C=C(C=C1O)O)C(NC(=O)C(C(C1=CC=C(O7)C=C1)O)NC8=O)C(=O)OC)NC(=O)C2NC4=O)O)O)N)O)O
• Isomeric SMILES: CC1=C(C=C2C=C1OC3=C(C=CC(=C3)[C@H](C(=O)N[C@@H]4[C@@H](C5=CC=C(C=C5)OC6=C(C7=CC(=C6)[C@H](C(=O)N[C@@H]8C9=CC(=C(C=C9)O)C1=C(C=C(C=C1O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC=C(O7)C=C1)O)NC8=O)C(=O)OC)NC(=O)[C@H]2NC4=O)O)O)N)O)O

Technology Process of Aglycoristocetin

There total 8 articles about Aglycoristocetin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

C65H59N7O21 (611180-79-1) → Ristocetin aglycone (73201-25-9)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 25 ℃; for 5h;

DOI:10.1021/ja039795a

Reference yield: 92.0%

ristocetin A → Ristocetin aglycone (73201-25-9)

Guidance literature:

With hydrogen fluoride; In methoxybenzene; at -18 ℃; for 1.33333h;

DOI:10.1016/S0960-894X(03)00051-9

Reference yield: 61.0%

ristocetin A → Ristocetin aglycone (73201-25-9)

Guidance literature:

With hydrogen fluoride; In methoxybenzene; at -70 - -18 ℃;

DOI:10.1021/jm900950d

upstream raw materials:

φ-aglycoristocetin

C₆₅H₅₉N₇O₂₁

Downstream raw materials:

C₇₄H₅₉N₇O₁₉S

C₇₈H₆₁N₇O₁₉S

(2R,2'S)-actinoidinic acid

ristomycinic acid