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Home > Boronic Acids > 889118-09-6
889118-09-6 | BOROXIN, 2,4,6-TRIS[4-[[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]METHYL]PHENYL]-
CAS No: 889118-09-6 Catalog No: AG008A5U MDL No:
Product Description
Catalog Number:
AG008A5U
Chemical Name:
BOROXIN, 2,4,6-TRIS[4-[[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]METHYL]PHENYL]-
CAS Number:
889118-09-6
Molecular Formula:
C39H63B3O6Si3
Molecular Weight:
744.6034
IUPAC Name:
[4-[4,6-bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,3,5,2,4,6-trioxatriborinan-2-yl]phenyl]methoxy-tert-butyl-dimethylsilane
InChI:
InChI=1S/C39H63B3O6Si3/c1-37(2,3)49(10,11)43-28-31-16-22-34(23-17-31)40-46-41(35-24-18-32(19-25-35)29-44-50(12,13)38(4,5)6)48-42(47-40)36-26-20-33(21-27-36)30-45-51(14,15)39(7,8)9/h16-27H,28-30H2,1-15H3
InChI Key:
CARMTALYHBTNGW-UHFFFAOYSA-N
SMILES:
CC([Si](OCc1ccc(cc1)B1OB(OB(O1)c1ccc(cc1)CO[Si](C(C)(C)C)(C)C)c1ccc(cc1)CO[Si](C(C)(C)C)(C)C)(C)C)(C)C
Properties
Complexity:
922
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
744.421g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
744.612g/mol
Monoisotopic Mass:
744.421g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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