Cyclopropanecarboxyl-coa

Base Information

• Chemical Name: Cyclopropanecarboxyl-coa
• CAS No.: 52530-01-5
• Molecular Formula: C25H40N7O17P3S
• Molecular Weight: 835.61

Synonyms:coenzyme A, cyclopropanecarboxyl-;cyclopropanecarboxyl-CoA;S-cyclopropanecarboxyl-coenzyme A

Chemical Property of Cyclopropanecarboxyl-coa

Chemical Property:

• PSA: 425.34000
• LogP: 1.33650
• XLogP3: -5.2
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 21
• Exact Mass: 835.14142500
• Heavy Atom Count: 53
• Complexity: 1460

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4CC4)O
• Isomeric SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4CC4)O

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