Pradimicin T1

Base Information

• Chemical Name: Pradimicin T1
• CAS No.: 149598-64-1
• Molecular Formula: C42H45 N O23
• Molecular Weight: 931.7996
• DSSTox Substance ID: DTXSID10164349
• Nikkaji Number: J550.933E
• Wikidata: Q83033432
• Mol file: 149598-64-1.mol

Synonyms:pradimicin T1;PRM T1

Chemical Property of Pradimicin T1

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1272.9°Cat760mmHg
• Flash Point: 723.6°C
• Density: 1.86g/cm³
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 9
• Exact Mass: 931.23823668
• Heavy Atom Count: 66
• Complexity: 1790

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NCC(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC7C(C(C(CO7)O)O)O)O)O)O)OC8C(C(C(CO8)O)O)O)O
• Isomeric SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NCC(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)O[C@@H]7[C@H]([C@@H]([C@H](CO7)O)O)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O