(11bR)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 95%, (99% ee)

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Catalog Number
ACM791616596
Product Name
(11bR)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 95%, (99% ee)
CAS
791616-59-6
Category
Heterocyclic Organic Compound
Synonyms
CS-0090551; (11bS)-4-Hydroxy-2,6-bis(4-(trifluoromethyl)phenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide; (11bR)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 95%, (99% ee); 3,3'-Di(p-trifluoromethylphenyl)-2,2'-(phosphinicobisoxy)-1,1'-binaphthalene; (aS)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin 4-oxide; 2,6-Bis[4-(trifluoromethyl)phenyl]-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin 4-oxide; MFCD17676196;
IUPAC Name
13-hydroxy-10,16-bis[4-(trifluoromethyl)phenyl]-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
636.486g/mol
Molecular Formula
C34H19F6O4P;
Canonical SMILES
C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC=C(C=C6)C(F)(F)F)OP(=O)(O3)O)C7=CC=C(C=C7)C(F)(F)F;
InChI
InChI=1S/C34H19F6O4P/c35-33(36,37)23-13-9-19(10-14-23)27-17-21-5-1-3-7-25(21)29-30-26-8-4-2-6-22(26)18-28(32(30)44-45(41,42)43-31(27)29)20-11-15-24(16-12-20)34(38,39)40/h1-18H,(H,41,42);
InChI Key
WTTAZMHSXLJOIR-UHFFFAOYSA-N;
Complexity
1000
Covalently-Bonded Unit Count
1
Exact Mass
636.093g/mol
H-Bond Acceptor
10
H-Bond Donor
1
Heavy Atom Count
45
Monoisotopic Mass
636.093g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
55.8A^2
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