Mono-6-O-(2-naphthyl)-per-O-methyl-α-cyclodextrin

Name: Mono-6-O-(2-naphthyl)-per-O-methyl-α-cyclodextrin
SKU: ACM1019999188-1
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Catalog NumberACM1019999188-1

CAS Number1019999-18-8

CategorySupramolecular Host Materials

IUPAC Name

31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-5,10,15,20,25-pentakis(methoxymethyl)-30-(naphthalen-2-yloxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane

Molecular Weight

1337.4g/mol

Molecular Formula

C63H100O30

Canonical SMILES

COCC1C2C(C(C(O1)OC3C(OC(C(C3OC)OC)OC4C(OC(C(C4OC)OC)OC5C(OC(C(C5OC)OC)OC6C(OC(C(C6OC)OC)OC7C(OC(O2)C(C7OC)OC)COC)COC)COC8=CC9=CC=CC=C9C=C8)COC)COC)OC)OC

InChI

InChI=1S/C63H100O30/c1-64-25-34-40-46(69-6)52(75-12)58(82-34)89-41-35(26-65-2)84-60(54(77-14)47(41)70-7)91-43-37(28-67-4)86-62(56(79-16)49(43)72-9)93-45-39(30-81-33-23-22-31-20-18-19-21-32(31)24-33)87-63(57(80-17)51(45)74-11)92-44-38(29-68-5)85-61(55(78-15)50(44)73-10)90-42-36(27-66-3)83-59(88-40)53(76-13)48(42)71-8/h18-24,34-63H,25-30H2,1-17H3

InChI Key

XRGIJNKZLAFOQY-UHFFFAOYSA-N

Complexity

2110

Covalently-Bonded Unit Count

Exact Mass

1336.629942g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

1336.629942g/mol

Rotatable Bond Count