3-Hydroxydecanoyl-coa

Base Information

• Chemical Name: 3-Hydroxydecanoyl-coa
• CAS No.: 6245-70-1
• Molecular Formula: C31H54N7O18P3S
• Molecular Weight: 937.78
• DSSTox Substance ID: DTXSID30581615
• Mol file: 6245-70-1.mol

Synonyms:3-hydroxydecanoyl-CoA;3-hydroxydecanoyl-coenzyme A;3-hydroxydecanoyl-coenzyme A, (R)-isomer;coenzyme A, 3-hydroxydecanoyl-

Chemical Property of 3-Hydroxydecanoyl-coa

Chemical Property:

• PSA: 445.57000
• LogP: 3.03800
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 28
• Exact Mass: 937.24589007
• Heavy Atom Count: 60
• Complexity: 1550

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O
• Isomeric SMILES: CCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O