1040274-10-9
(R)-(+)-7'-[4(S)-(BENZYL)OXAZOL-2-YL]-7-DI(3,5-DI-T-BUTYLPHENYL)PHOSPHINO-2,2',3,3'-TETRAHYDRO-1,1'-SPIROBIINDANE
Name(R)-(+)-7'-[4(S)-(BENZYL)OXAZOL-2-YL]-7-DI(3,5-DI-T-BUTYLPHENYL)PHOSPHINO-2,2',3,3'-TETRAHYDRO-1,1'-SPIROBIINDANE
1Identification
【Name】
(R)-(+)-7'-[4(S)-(BENZYL)OXAZOL-2-YL]-7-DI(3,5-DI-T-BUTYLPHENYL)PHOSPHINO-2,2',3,3'-TETRAHYDRO-1,1'-SPIROBIINDANE
【CAS】
【MDL】
MFCD17018765
【English Synonyms】
【Formula】
C55 H66 N O P
【MolWeight】
788.106
【Inchi】
InChI=1S/C55H66NOP/c1-51(2,3)39-29-40(52(4,5)6)32-44(31-39)58(45-33-41(53(7,8)9)30-42(34-45)54(10,11)12)47-23-17-21-38-25-27-55(49(38)47)26-24-37-20-16-22-46(48(37)55)50-56-43(35-57-50)28-36-18-14-13-15-19-36/h13-23,29-34,43H,24-28,35H2,1-12H3/t43-,55?/m0/s1
【InChIKey】
InChIKey=UAWQRALEHCBVCD-SBKYRTFESA-N
【SMILES】
CC(C)(C)c1cc(cc(c1)P(c2cccc3c2C4(CCc5c4c(ccc5)C6=N[C@H](CO6)Cc7ccccc7)CC3)c8cc(cc(c8)C(C)(C)C)C(C)(C)C)C(C)(C)C
【MOL File】
(R)-(+)-7'-[4(S)-(BE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:18.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(R)-(+)-7'-[4(S)-(BENZYL)OXAZOL-2-YL]-7-DI(3,5-DI-T-BUTYLPHENYL)PHOSPHINO-2,2',3,3'-TETRAHYDRO-1,1'-SPIROBIINDANE.cml