4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-3a,8,8-trimethyl-α-(2-methylpropyl)-, (αR,3aS,4S,6S,7aR)-, 2,2,2-trifluoroacetate (1:1)
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4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-3a,8,8-trimethyl-α-(2-methylpropyl)-, (αR,3aS,4S,6S,7aR)-, 2,2,2-trifluoroacetate (1:1)
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CAS No:
179324-87-9
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Formula:
C15H28BNO2.C2HF3O2
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Chemical Name:
4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-3a,8,8-trimethyl-α-(2-methylpropyl)-, (αR,3aS,4S,6S,7aR)-, 2,2,2-trifluoroacetate (1:1)
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Synonyms:
4,6-Methano-1,3,2-benzodioxaborole-2-methanamine,hexahydro-3a,8,8-trimethyl-α-(2-methylpropyl)-,(αR,3aS,4S,6S,7aR)-,2,2,2-trifluoroacetate (1:1);4,6-Methano-1,3,2-benzodioxaborole-2-methanamine,hexahydro-3a,5,5-trimethyl-α-(2-methylpropyl)-,[3aS-[2(S*),3aα,4β,6β,7aα]]-,trifluoroacetate;4,6-Methano-1,3,2-benzodioxaborole-2-methanamine,hexahydro-3a,5,5-trimethyl-α-(2-methylpropyl)-,(αR,3aS,4S,6S,7aR)-,trifluoroacetate
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CAS No:
4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-3a,8,8-trimethyl-α-(2-methylpropyl)-, (αR,3aS,4S,6S,7aR)-, 2,2,2-trifluoroacetate (1:1) Basic Attributes
379.224
379.214
2017-001-1
DTXSID00658025
29209090
4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-3a,8,8-trimethyl-α-(2-methylpropyl)-, (αR,3aS,4S,6S,7aR)-, 2,2,2-trifluoroacetate (1:1) Use and Manufacturing
Bortezomib (B675700) intermediate. A boronic acid dipeptide derivative as proteasome inhibitors.
Computed Properties
Molecular Weight:379.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:379.2141731
Monoisotopic Mass:379.2141731
Topological Polar Surface Area:81.8
Heavy Atom Count:26
Complexity:457
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-3a,8,8-trimethyl-α-(2-methylpropyl)-, (αR,3aS,4S,6S,7aR)-, 2,2,2-trifluoroacetate (1:1)
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