AG00H2YY

929294-27-9 | (11bR)-8,9,10,11,12,13,14,15-Octahydro-4-hydroxy-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]-4-oxide-dinaphtho[2,1-d

AG00H2YY

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CAS Number	929294-27-9
Catalog Number	AG00H2YY(AGN-PC-0WGBZI)
Chemical Name	(11bR)-8,9,10,11,12,13,14,15-Octahydro-4-hydroxy-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]-4-oxide-dinaphtho[2,1-d
IUPAC Name	13-hydroxy-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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
InChI	InChI=1S/C50H65O4P/c1-27(2)35-23-39(29(5)6)45(40(24-35)30(7)8)43-21-33-17-13-15-19-37(33)47-48-38-20-16-14-18-34(38)22-44(50(48)54-55(51,52)53-49(43)47)46-41(31(9)10)25-36(28(3)4)26-42(46)32(11)12/h21-32H,13-20H2,1-12H3,(H,51,52)
InChI Key	CBAOKKLHEAPXIO-UHFFFAOYSA-N
MDL Number	MFCD30541785
Molecular Formula	C50H65O4P
Molecular Weight	761.0225
SMILES	O=P1(OC2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C=C4CCCCC4=[C@@]2[C@@]5=C6CCCCC6=CC(C7=C(C(C)C)C=C(C(C)C)C=C7C(C)C)=C5O1)O
Synonyms	SCHEMBL13436102, 878111-20-7, 929294-27-9, CS-0090636, J3.525.893K, (11bS)-4-Hydroxy-2,6-bis(2,4,6-triisopropylphenyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide, (aR)-2,6-Bis(2,4,6-triisopropylphenyl)-4-hydroxy-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin 4-oxide, (R)-3,3'-Bis2,4,6-triisopropylphenyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogenphosphate, 98%, (99% ee), (S)-3,3'-Bis2,4,6-triisopropylphenyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogenphosphate, 98%, (99% ee), 2,6-Bis(2,4,6-triisopropylphenyl)-4-hydroxy-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin 4-oxide, Phosphoric acid 3,3'-bis(2,4,6-triisopropylphenyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene-2,2'-diyl ester, ACN-043520, ACN-043523, R-3,3'-BIS(2,4,6-TRIISOPROPYLPHENYL)-5,5',6,6',7,7',8,8'-OCTAHYDRO-1,1'-BINAPHTHYL-2,2'-DIYL HYDROGENPHOSPHATE, S-3,3'-BIS(2,4,6-TRIISOPROPYLPHENYL)-5,5',6,6',7,7',8,8'-OCTAHYDRO-1,1'-BINAPHTHYL-2,2'-DIYL HYDROGENPHOSPHATE,

Complexity	1180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	760.462g/mol
Formal Charge	0
Heavy Atom Count	55
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	761.04g/mol
Monoisotopic Mass	760.462g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	15.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315
Packing Group	\N
Precautionary statements	P264-P280-P302+P352-P332+P313-P362+P364
UN Code	\N

Certificate of Analysis

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