Papulacandin B

Base Information

• Chemical Name: Papulacandin B
• CAS No.: 61032-80-2
• Molecular Formula: C₄₇H₆₄O₁₇
• Molecular Weight: 901.015
• DSSTox Substance ID: DTXSID001027536
• Nikkaji Number: J18.449G
• Wikipedia: Papulacandin_B
• Wikidata: Q105274020
• ChEMBL ID: CHEMBL448981
• Mol file: 61032-80-2.mol

Synonyms:papulacandin B

Chemical Property of Papulacandin B

Chemical Property:

• Boiling Point: 1079.8oC at 760 mmHg
• Flash Point: 311.7oC
• PSA: 271.59000
• Density: 1.36g/cm3
• LogP: 2.81230
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 23
• Exact Mass: 900.41435057
• Heavy Atom Count: 64
• Complexity: 1670

Purity/Quality:

PAPULACANDIN B 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CCC=CC=C(C)C(CC=CC=CC(=O)OC1C(C(OC2(C1O)C3=C(CO2)C=C(C=C3O)O)CO)OC4C(C(C(C(O4)COC(=O)C=CC=CC=CC(CC)O)O)O)O)O
• Isomeric SMILES: CCC(C)CC/C=C/C=C(\C)/C(C/C=C/C=C/C(=O)O[C@H]1[C@@H]([C@H](O[C@]2([C@@H]1O)C3=C(CO2)C=C(C=C3O)O)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)/C=C/C=C/C=C/C(CC)O)O)O)O)O

Technology Process of Papulacandin B

There total 1 articles about Papulacandin B 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:

→ Papulacandin B (61032-80-2)

Guidance literature:

Refernces