CAS 791616-62-1 (11bR)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 98%, (99% ee)

Synonyms

(S)-(+)-3,3'-Bis(3,5-bis(trifluoromethyl)phenyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate; Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin,2,6-bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-,4-oxide,(11bR)-; 2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin 4-oxide; DTXSID70466770; 878111-17-2; C36H17F12O4P; (11bR)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 98%, (99% ee); 10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-hydroxy-12,14-dioxa-13$l^{5-phosphapentacyclo[13.8.0.0^{2,11.0^{3,8.0^{18,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide; FT-0689870; 791616-62-1;

IUPAC Name

10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide;

Molecular Weight

772.483g/mol

Molecular Formula

C36H17F12O4P;

Canonical SMILES

C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)OP(=O)(O3)O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F;

InChI

InChI=1S/C36H17F12O4P/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(32(30)52-53(49,50)51-31(27)29)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h1-16H,(H,49,50);

InChI Key

DQORDVSQWPKAQJ-UHFFFAOYSA-N;

Complexity

1210

Covalently-Bonded Unit Count

Exact Mass

772.067g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

772.067g/mol

Rotatable Bond Count

Topological Polar Surface Area

55.8A^2