6-Deoxy-6-fluorocyclomaltoheptaose

(1S,3R,5R,6S,8S,10S,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-10-(fluoromethyl)-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

Also Known As: 6-Dfcmh|6-Deoxy-6-fluorocyclomaltoheptaose|KST-1A0248|Mono-6-deoxy-6-fluorocyclomaltoheptaose|(1S,3R,5R,6S,8S,10S,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-10-(fluoromethyl)-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol|(1s,3s,5s,6s,8r,10r,11s,13r,15r,16s,18r,20r,21s,23r,25r,26s,30r,31s,33r,35r,36r,37r,38r,39r,40r,41r,42r,43r,44r,45r,46r,47r,48r,49r)-5-(fluoromethyl)-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol(non-preferred name)

Molecular Formula	C42H69FO34
Molecular Weight	1136.3655 g/mol
LogP	-14.0
Topological Polar Surface Area	534.0 Ų
Hydrogen Bond Donors	20
Hydrogen Bond Acceptors	35
Rotatable Bonds	7
Exact Mass	1136.3655
Monoisotopic Mass	1136.3655
Heavy Atoms	77
Complexity	1840.0

Chemical Identifiers

CAS Number	6340-06-3
SMILES	C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](OC([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CF)CO)O)O)O
InChIKey	WEIPGRSBUGQBEA-LNMAUMMUSA-N