Chemical Property of 2-Methylsulfonyladenylcobamide
Chemical Property:
- PSA：0.00000
- LogP:0.00000
- Hydrogen Bond Donor Count:10
- Hydrogen Bond Acceptor Count:26
- Rotatable Bond Count:27
- Exact Mass:1421.515046
- Heavy Atom Count:96
- Complexity:3410
- Purity/Quality:
-
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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Useful:
- Canonical SMILES:CC1=C2C(C(C([N-]2)C3(C(C(C(=N3)C(=C4C(C(C(=N4)C=C5C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)([O-])OC6C(OC(C6O)N7C=NC8=NC(=NC(=C87)N)S(=O)(=O)C)CO.[C-]#N.[Co+3]
- Isomeric SMILES:C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)([O-])OC6C(OC(C6O)N7C=NC8=NC(=NC(=C87)N)S(=O)(=O)C)CO.[C-]#N.[Co+3]
