Name: Name:O(1),O(3)-Bis(ethoxycarbonylmethyl)-p-tert-butylcalix[4]arene
Brand: Angene
SKU: AG003TEM
Rating: 90 (10 reviews)

O(1),O(3)-Bis(ethoxycarbonylmethyl)-p-tert-butylcalix[4]arene

CAS No.:

97600-49-2

Catalog Number:

AG003TEM

Molecular Formula:

Molecular Weight:

Catalog Number:

AG003TEM

Chemical Name:

O(1),O(3)-Bis(ethoxycarbonylmethyl)-p-tert-butylcalix[4]arene

CAS Number:

97600-49-2

MDL Number:

MFCD00798575

IUPAC Name:

ethyl 2-[[5,11,17,23-tetratert-butyl-27-(2-ethoxy-2-oxoethoxy)-26,28-dihydroxy-25-pentacyclo[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-dodecaenyl]oxy]acetate

InChI:

InChI=1S/C52H68O8/c1-15-57-43(53)29-59-47-35-17-31-21-39(49(3,4)5)23-33(45(31)55)19-37-27-42(52(12,13)14)28-38(48(37)60-30-44(54)58-16-2)20-34-24-40(50(6,7)8)22-32(46(34)56)18-36(47)26-41(25-35)51(9,10)11/h21-28,55-56H,15-20,29-30H2,1-14H3

InChI Key:

RCVLXPWJVXHCMD-UHFFFAOYSA-N

Complexity:

1230

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

820.491g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

821.108g/mol

Monoisotopic Mass:

820.491g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

112A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

14.2