CID 6443897

Base Information

• Chemical Name: CID 6443897
• CAS No.: 111865-28-2
• Molecular Formula: C24H33N5O9S
• Molecular Weight: 567.6119
• Mol file: 111865-28-2.mol

Synonyms:7,8-dihydro-2-(4-methyl-1-piperidinyl)-4-(1-pyrrolidinyl)-6H-thiopyrano(3,2-D)pyrimidine-2-butenedioate;MTP 1307;MTP-1307

Chemical Property of CID 6443897

Chemical Property:

• Vapor Pressure: 2.95E-12mmHg at 25°C
• Boiling Point: 552.6°C at 760 mmHg
• Flash Point: 288°C
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 567.19989882
• Heavy Atom Count: 39
• Complexity: 519

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NC3=C(C(=N2)N4CCCC4)OC(CC3)S.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN1CCN(CC1)C2=NC3=C(OC(CC3)S)C(=N2)N4CCCC4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O