CAS Number
Molecular Formula
C54H84O36S6
Product format
Neat
Molecular Weight
1501.59
API Family
Synonyms
Sugammadex Impurity 49; LX5YDZ8M2T; 779318-36-4; alpha-Cyclodextrin, 6A, 6B, 6C, 6D, 6E, 6F-hexakis-S-(2-carboxyethyl)-6A, 6B, 6C, 6D, 6E and 6F-hexathio-
Iupac Name
3-[[(1S, 3S, 5S, 6S, 8S, 10S, 11S, 13S, 15S, 16S, 18S, 20S, 21S, 23S, 25S, 26S, 28S, 30S, 31R, 32R, 33R, 34R, 35R, 36R, 37R, 38R, 39R, 40R, 41R, 42R)-10, 15, 20, 25, 30-pentakis(2-carboxyethylsulfanylmethyl)-31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42-dodecahydroxy-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 and 26]dotetracontan-5-yl]methylsulfanyl]propanoic acid
InChI
InChI=1S/C54H84O36S6/c55-25(56)1-7-91-13-19-43-31(67)37(73)49(79-19)86-44-20(14-92-8-2-26(57)58)81-51(39(75)33(44)69)88-46-22(16-94-10-4-28(61)62)83-53(41(77)35(46)71)90-48-24(18-96-12-6-30(65)66)84-54(42(78)36(48)72)89-47-23(17-95-11-5-29(63)64)82-52(40(76)34(47)70)87-45-21(15-93-9-3-27(59)60)80-50(85-43)38(74)32(45)68/h19-24,31-54,67-78H,1-18H2,(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/t19-,20-,21-,22-,23-,24-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m1/s1
