Monohydroxy sugammadex heptasodium salt

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C69H101O47S7.7Na
Molecular Weight	2067.895
Optical Activity	UNSPECIFIED
Defined Stereocenters	40 / 40
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Monohydroxy sugammadex heptasodium salt

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CSCCC([O-])=O)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CSCCC([O-])=O)O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CSCCC([O-])=O)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CSCCC([O-])=O)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CSCCC([O-])=O)O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@@H]8CSCCC([O-])=O)O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@@H]9CSCCC([O-])=O)O[C@H]1[C@H](O)[C@H]2O

InChI

InChIKey=MVDYUJKGAQYQQB-ANACXJKZSA-G

InChI=1S/C69H108O47S7.7Na/c70-15-23-54-38(85)46(93)62(101-23)110-55-24(16-117-8-1-31(71)72)103-64(48(95)40(55)87)112-57-26(18-119-10-3-33(75)76)105-66(50(97)42(57)89)114-59-28(20-121-12-5-35(79)80)107-68(52(99)44(59)91)116-61-30(22-123-14-7-37(83)84)108-69(53(100)45(61)92)115-60-29(21-122-13-6-36(81)82)106-67(51(98)43(60)90)113-58-27(19-120-11-4-34(77)78)104-65(49(96)41(58)88)111-56-25(17-118-9-2-32(73)74)102-63(109-54)47(94)39(56)86;;;;;;;/h23-30,38-70,85-100H,1-22H2,(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84);;;;;;;/q;7*+1/p-7/t23-,24-,25-,26-,27-,28-,29-,30-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-;;;;;;;/m1......./s1

HIDE SMILES / InChI