Synonyms
850661-66-4;I0801;(S)-4-Isopropyl-3-(1-naphthylmethyl)-2,5,5-triphenyl-1,3,2-oxazaborolidine;(S)-4-Isopropyl-3-(1-naphthylmethyl)-2,5,5-triphenyl-1,3,2-oxazaborolidine (ca. 6% in toluene, ca. 0.1mol/L);DTXSID20479971;MFCD23143154;ZINC196343616;4beta-Isopropyl-3-(1-naphthylmethyl)-2,5,5-triphenyl-1,3,2-oxazaborolidine;
IUPAC Name
(4S)-3-(naphthalen-1-ylmethyl)-2,5,5-triphenyl-4-propan-2-yl-1,3,2-oxazaborolidine;
Molecular Weight
481.446g/mol
Molecular Formula
C34H32BNO;
Canonical SMILES
B1(N(C(C(O1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C)CC4=CC=CC5=CC=CC=C54)C6=CC=CC=C6;
InChI
InChI=1S/C34H32BNO/c1-26(2)33-34(29-18-6-3-7-19-29,30-20-8-4-9-21-30)37-35(31-22-10-5-11-23-31)36(33)25-28-17-14-16-27-15-12-13-24-32(27)28/h3-24,26,33H,25H2,1-2H3/t33-/m0/s1;
InChI Key
KMDAQDQUTLTEPL-XIFFEERXSA-N;
Complexity
689
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
1
Exact Mass
481.258g/mol
H-Bond Acceptor
2
Heavy Atom Count
37
Monoisotopic Mass
481.258g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
12.5A^2
