CAS 80262-44-8 Cucurbit[6]uril hydrate - Materials / Alfa Chemistry

NAVIGATION

Cucurbit[6]uril hydrate

PRICE INQUIRY

Catalog Number

ACM80262448-1

CAS Number

80262-44-8

Product Name

Cucurbit[6]uril hydrate

Structure

Category

Hydrophilic Polymers

IUPAC Name

3,5,8,10,13,15,18,20,23,25,28,30,31,33,35,37,41,43,45,47,49,51,53,55-tetracosazanonadecacyclo[25.3.3.36,7.311,12.316,17.321,22.22,31.226,33.13,30.15,8.110,13.115,18.120,23.125,28.135,41.137,55.143,45.147,49.151,53]hexacontane-34,36,38,39,40,42,44,46,48,50,52,54-dodecone

Molecular Weight

996.8g/mol

Molecular Formula

C36H36N24O12

Canonical SMILES

C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C1=O

InChI

InChI=1S/C36H36N24O12/c61-25-37-1-38-14-16-42(26(38)62)4-46-18-20-50(30(46)66)8-54-22-24-58(34(54)70)11-57-23-21-53(33(57)69)7-49-19-17-45(29(49)65)3-41(25)15-13(37)39-2-40(14)28(64)44(16)6-48(18)32(68)52(20)10-56(22)36(72)60(24)12-59(23)35(71)55(21)9-51(19)31(67)47(17)5-43(15)27(39)63/h13-24H,1-12H2

InChI Key

MSBXTPRURXJCPF-UHFFFAOYSA-N

Complexity

2140

Covalently-Bonded Unit Count

Exact Mass

996.294453g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

cucurbit(6)uril

Monoisotopic Mass