Name: Name:O(1),O(3)-BIS(CARBOXYMETHYL)-O(2),O(4)-DIMETHYL-P-T-BUTYLCALIX(4)ARENE
Brand: Angene
SKU: AG003TEL
Rating: 90 (10 reviews)

O(1),O(3)-BIS(CARBOXYMETHYL)-O(2),O(4)-DIMETHYL-P-T-BUTYLCALIX(4)ARENE

CAS No.:

136157-98-7

Catalog Number:

AG003TEL

Molecular Formula:

Molecular Weight:

Catalog Number:

AG003TEL

Chemical Name:

O(1),O(3)-BIS(CARBOXYMETHYL)-O(2),O(4)-DIMETHYL-P-T-BUTYLCALIX(4)ARENE

CAS Number:

136157-98-7

MDL Number:

MFCD00798565

IUPAC Name:

2-[[5,11,17,23-tetratert-butyl-27-(carboxymethoxy)-26,28-dimethoxy-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]acetic acid

InChI:

InChI=1S/C50H64O8/c1-47(2,3)37-19-29-15-33-23-39(49(7,8)9)25-35(45(33)57-27-41(51)52)17-31-21-38(48(4,5)6)22-32(44(31)56-14)18-36-26-40(50(10,11)12)24-34(46(36)58-28-42(53)54)16-30(20-37)43(29)55-13/h19-26H,15-18,27-28H2,1-14H3,(H,51,52)(H,53,54)

InChI Key:

GRSQCGICFHAMOA-UHFFFAOYSA-N

Complexity:

1190

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

792.46g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

793.054g/mol

Monoisotopic Mass:

792.46g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

112A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

13.4