AG0023XJ

182496-55-5 | 2,8,14,20-Tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol, 5,11,17,23-tetrakis(1,1-dimethylethyl)-

AG0023XJ

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	182496-55-5
Catalog Number	AG0023XJ(AGN-PC-0QC8GS)
Chemical Name	2,8,14,20-Tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol, 5,11,17,23-tetrakis(1,1-dimethylethyl)-
IUPAC Name	5,11,17,23-tetratert-butyl-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
InChI	InChI=1S/C40H48O4S4/c1-37(2,3)21-13-25-33(41)26(14-21)46-28-16-23(39(7,8)9)18-30(35(28)43)48-32-20-24(40(10,11)12)19-31(36(32)44)47-29-17-22(38(4,5)6)15-27(45-25)34(29)42/h13-20,41-44H,1-12H3
InChI Key	PDEJSTNRUYUEQL-UHFFFAOYSA-N
MDL Number	MFCD04038412
Molecular Formula	C40H48O4S4
Molecular Weight	721.0667
SMILES	CC(C)(C1=CC5=C(O)C(SC2=CC(C(C)(C)C)=CC(SC3=CC(C(C)(C)C)=CC(SC4=C(O)C(S5)=CC(C(C)(C)C)=C4)=C3O)=C2O)=C1)C
Synonyms	4-tert-Butylthiacalix[4]arene, 182496-55-5, 4-t-Butylthiacalix[4]arene, Cobalt(II) ionophore IV, DTXSID60412645, MFCD04038412, AKOS026706004, ZINC150343100, Tetra-tert-butyl(tetrahydroxy)tetrathiacalix[4]arene, F1170-0426, Cobalt(II) ionophore IV, Selectophore(TM), function tested, 5,11,17,23-tetra-tert-butyl-2,8,14,20-tetrathiapentacyclo[19.3.1.1?,?.1?,??.1??,??]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol, CID5242247, CID 5242247, B2296,

Complexity	859
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	720.244g/mol
Formal Charge	0
Heavy Atom Count	48
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	721.06g/mol
Monoisotopic Mass	720.244g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	182A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	13.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number