AG00ILUB

878111-17-2 | (11bS)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxydinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin 4-oxide

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CAS Number	878111-17-2
Catalog Number	AG00ILUB(AGN-PC-0VGWTO)
Chemical Name	(11bS)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxydinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin 4-oxide
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
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
MDL Number	MFCD08689863
Molecular Formula	C36H17F12O4P
Molecular Weight	772.4724
SMILES	c1ccc2c(c1)cc(c3c2-c4c5ccccc5cc(c4OP(=O)(O3)O)c6cc(cc(c6)C(F)(F)F)C(F)(F)F)c7cc(cc(c7)C(F)(F)F)C(F)(F)F
Synonyms	791616-62-1, 878111-17-2, (R)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binapthyl-2,2'-diyl hydrogenphosphate, (S)-(+)-3,3'-Bis(3,5-bis(trifluoromethyl)phenyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate, C36H17F12O4P, 2,6-bis(3,5-bis(trifluoromethyl)phenyl)-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide, Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin,2,6-bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-,4-oxide,(11bR)-, SCHEMBL297206, DTXSID70466770, MFCD08689863, AKOS015901915, ZINC150347594, SS-4777, (S)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binapthyl-2,2'-diyl hydrogenphosphate, CS-0028398, FT-0689870, FT-0701531, I14-14130, 1,1'-Bi(3-(3,5-di(trifluoromethyl)phenyl)naphthalene)-2,2'-diol 2,2'-phosphate, (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), (11bR)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxydinaphtho[2,1-d:1 inverted exclamation marka,2 inverted exclamation marka-f]-1,3,2-dioxaphosphepin 4-oxide, (11bS)-2,6-Bis(3,5-bis(trifluoromethyl)phenyl)-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide, (11bS)-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), (aR)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin 4-oxide, (aR)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-one, (aS)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin 4-oxide, (aS)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-one, (R)-3,3 inverted exclamation marka-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1 inverted exclamation marka-bi-2-naphthol cyclic monophosphate, (R)-3,3 inverted exclamation marka-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1 inverted exclamation marka-binaphthyl-2,2 inverted exclamation marka-diyl hydrogenphosphate, (R)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate, 95%, (S)-(+)-3,3-BIS(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-1,1-BINAPHTHYL-2,2-DIYL HYDROGENPHOSPHATE, 95%, (S)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-2,2'-dihydroxy-1,1'-binaphthalene cyclic phosphate, 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, 2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-4H-4lambda~5~-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-one, 2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin 4-oxide, CID11468389, -3,3'-BIS(3,5-BIS PH&, CID 11468389, (R)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene-2,2'-diyl hydrogen phosphate,

Complexity	1210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	772.067g/mol
Formal Charge	0
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	772.483g/mol
Monoisotopic Mass	772.067g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	11.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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