Also known as: Cyclodextrin, Cyclohexaamylose, Cyclohexaamylose carbonate, Cyclodextrine, Mfcd00078207, .alpha.-dextrin

Molecular Formula

C₃₆H₆₀O₃₀

Molecular Weight

972.8 g/mol

InChI Key

HFHDHCJBZVLPGP-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,10,15,20,25,30-hexakis(hydroxymethyl)-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-31,32,33,34,35,36,37,38,39,40,41,42-dodecol

2.1.2 InChI

InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2

2.1.3 InChI Key

HFHDHCJBZVLPGP-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Alpha-cyclodextrin

2. Cyclohexaamylose

3. Cyclomaltohexaose

2.2.2 Depositor-Supplied Synonyms

1. Cyclodextrin

2. Cyclohexaamylose

3. Cyclohexaamylose Carbonate

4. Cyclodextrine

5. Mfcd00078207

6. .alpha.-dextrin

7. .alpha.-cycloamylose

8. Bdbm4

9. Dextrin, .alpha.-cyclo

10. .alpha.-schardinger Dextrin

11. Schembl181370

12. ?-cd

13. Dtxsid00860060

14. Hfhdhcjbzvlpgp-uhfffaoysa-n

15. Nsc269470

16. Ncgc00249009-01

17. Sy007362

18. (1s,3r,5r,6s,8r,10r,11s,13r,15r,16s,18r,20r,21s,23r,25r,26s,28r,30r,31r,32r,33r,34r,35r,36r,37r,38r,39r,40r,41r,42r)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol

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

20. 5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol

21. 5,10,15,20,25,30-hexakis(hydroxymethyl)-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-31,32,33,34,35,36,37,38,39,40,41,42-dodecol

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₃₆H₆₀O₃₀
Molecular Weight	972.8 g/mol
XLogP3	-12.9
Hydrogen Bond Donor Count	18
Hydrogen Bond Acceptor Count	30
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	475
Heavy Atom Count	66
Formal Charge	0
Complexity	1250
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	30
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Cyclodextrin

Cyclodextrin

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