Synonyms
1065214-95-0;MFCD27920530;(11bR)-2,6-Bis(3,5-dimethylphenyl)-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 98%, (99% ee);(11bS)-2,6-Bis(3,5-dimethylphenyl)-4-hydroxy-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide;(11bS)-2,6-Bis(3,5-dimethylphenyl)-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 98%, (99% ee);2,6-Bis(3,5-dimethylphenyl)-4-hydroxy-4-oxo-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin;
IUPAC Name
10,16-bis(3,5-dimethylphenyl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide;
Molecular Weight
564.662g/mol
Molecular Formula
C36H37O4P;
Canonical SMILES
CC1=CC(=CC(=C1)C2=CC3=C(CCCC3)C4=C2OP(=O)(OC5=C4C6=C(CCCC6)C=C5C7=CC(=CC(=C7)C)C)O)C;
InChI
InChI=1S/C36H37O4P/c1-21-13-22(2)16-27(15-21)31-19-25-9-5-7-11-29(25)33-34-30-12-8-6-10-26(30)20-32(28-17-23(3)14-24(4)18-28)36(34)40-41(37,38)39-35(31)33/h13-20H,5-12H2,1-4H3,(H,37,38);
InChI Key
PRNBXXKMCPBPMG-UHFFFAOYSA-N;
Complexity
877
Covalently-Bonded Unit Count
1
Exact Mass
564.243g/mol
H-Bond Acceptor
4
H-Bond Donor
1
Heavy Atom Count
41
Monoisotopic Mass
564.243g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
55.8A^2
