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Home > Boronic Acids > 6638-75-1
6638-75-1 | Galactitol, cyclic1,2:3,4:5,6-tribenzeneboronate (8CI)
CAS No: 6638-75-1 Catalog No: AG006MC6 MDL No:
Product Description
Catalog Number:
AG006MC6
Chemical Name:
Galactitol, cyclic1,2:3,4:5,6-tribenzeneboronate (8CI)
CAS Number:
6638-75-1
Molecular Formula:
C24H23B3O6
Molecular Weight:
439.8688
IUPAC Name:
2-phenyl-4,5-bis(2-phenyl-1,3,2-dioxaborolan-4-yl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C24H23B3O6/c1-4-10-18(11-5-1)25-28-16-21(30-25)23-24(33-27(32-23)20-14-8-3-9-15-20)22-17-29-26(31-22)19-12-6-2-7-13-19/h1-15,21-24H,16-17H2
InChI Key:
SJBOHRFCOHUSSF-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)B1OC(C(O1)C1COB(O1)c1ccccc1)C1COB(O1)c1ccccc1
NSC Number:
48284
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.177g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.872g/mol
Monoisotopic Mass:
440.177g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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