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Home > Boronic Acids > 514820-49-6
514820-49-6 | (R)-BoroPhe-(+)-Pinanediol-CF3CO2H
CAS No: 514820-49-6 Catalog No: AG00DBSN MDL No:
Product Description
Catalog Number:
AG00DBSN
Chemical Name:
(R)-BoroPhe-(+)-Pinanediol-CF3CO2H
CAS Number:
514820-49-6
IUPAC Name:
(1R)-2-phenyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethanamine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C18H26BNO2.C2HF3O2/c1-17(2)13-10-14(17)18(3)15(11-13)21-19(22-18)16(20)9-12-7-5-4-6-8-12;3-2(4,5)1(6)7/h4-8,13-16H,9-11,20H2,1-3H3;(H,6,7)/t13-,14-,15+,16-,18-;/m0./s1
InChI Key:
YJRYQGLPPMUWRO-SKAYQWHWSA-N
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
413.199g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
413.244g/mol
Monoisotopic Mass:
413.199g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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