1241684-27-4
(3AR,8AR)-4,4,8,8-TETRAKIS(3,5-DI-TERT-BUTYLPHENYL)-2,2-DIETHYL-6-PHENYLTETRAHYDRO-[1,3]DIOXOLO[4,5-E][1,3,2]DIOXAPHOSPHEPINE
Name(3AR,8AR)-4,4,8,8-TETRAKIS(3,5-DI-TERT-BUTYLPHENYL)-2,2-DIETHYL-6-PHENYLTETRAHYDRO-[1,3]DIOXOLO[4,5-E][1,3,2]DIOXAPHOSPHEPINE
1Identification
【Name】
(3AR,8AR)-4,4,8,8-TETRAKIS(3,5-DI-TERT-BUTYLPHENYL)-2,2-DIETHYL-6-PHENYLTETRAHYDRO-[1,3]DIOXOLO[4,5-E][1,3,2]DIOXAPHOSPHEPINE
【CAS】
【MDL】
MFCD16876059
【English Synonyms】
(3AR,8AR)-4,4,8,8-TETRAKIS(3,5-DI-TERT-BUTYLPHENYL)-2,2-DIETHYL-6-PHENYLTETRAHYDRO-[1,3]DIOXOLO[4,5-E][1,3,2]DIOXAPHOSPHEPINE
【Formula】
C71 H101 O4 P
【MolWeight】
1049.55
【Inchi】
InChI=1S/C71H101O4P/c1-27-69(28-2)72-59-60(73-69)71(56-42-50(65(15,16)17)36-51(43-56)66(18,19)20,57-44-52(67(21,22)23)37-53(45-57)68(24,25)26)75-76(58-32-30-29-31-33-58)74-70(59,54-38-46(61(3,4)5)34-47(39-54)62(6,7)8)55-40-48(63(9,10)11)35-49(41-55)64(12,13)14/h29-45,59-60H,27-28H2,1-26H3/t59-,60-/m1/s1
【InChIKey】
InChIKey=JKEBUWSLWMBNHR-FNSAWIKJSA-N
【SMILES】
CCC1(O[C@@H]2[C@@H](O1)C(OP(OC2(c3cc(cc(c3)C(C)(C)C)C(C)(C)C)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)c5ccccc5)(c6cc(cc(c6)C(C)(C)C)C(C)(C)C)c7cc(cc(c7)C(C)(C)C)C(C)(C)C)CC
【MOL File】
(3AR,8AR)-4,4,8,8-TE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:24.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
(3AR,8AR)-4,4,8,8-TETRAKIS(3,5-DI-TERT-BUTYLPHENYL)-2,2-DIETHYL-6-PHENYLTETRAHYDRO-[1,3]DIOXOLO[4,5-E][1,3,2]DIOXAPHOSPHEPINE.cml