N,N'-Trimethylenebis(actobionamide) hexadecakis(sodium sulfate) (ester)
[CAS# 123072-45-7]

Identification

• Name: N,N'-Trimethylenebis(actobionamide) hexadecakis(sodium sulfate) (ester)
• Synonyms: Hexadecasodium [(2S,3R,4S,5S,6R)-2-[(1R,2S,3R)-1-[(1R)-1,2-Disulfonatooxyethyl]-4-Oxo-2,3-Disulfonatooxy-4-[3-[[(2R,3S,4R,5R)-2,3,5,6-Tetrasulfonatooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trisulfonatooxy-6-(Sulfonatooxymethyl)Tetrahydropyran-2-Yl]Oxy-Hexanoyl]Amino]Propylamino]Butoxy]-3,5-Disulfonatooxy-6-(Sulfonatooxymethyl)Tetrahydropyran-4-Yl] Sulfate; Hexadecasodium [(2S,3R,4S,5S,6R)-2-[(1R,2S,3R)-1-[(1R)-1,2-Disulfonatooxyethyl]-4-Oxo-4-[3-[[(2R,3S,4R,5R)-1-Oxo-2,3,5,6-Tetrasulfonatooxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trisulfonatooxy-6-(Sulfonatooxymethyl)-2-Tetrahydropyranyl]Oxy]Hexyl]Amino]Propylamino]-2,3-Disulfonatooxybutoxy]-3,5-Disulfonatooxy-6-(Sulfonatooxymethyl)-4-Tetrahydropyranyl] Sulfate; Hexadecasodium [(2S,3R,4S,5S,6R)-2-[(1R,2S,3R)-1-[(1R)-1,2-Disulfatoethyl]-4-Keto-2,3-Disulfato-4-[3-[[(2R,3S,4R,5R)-2,3,5,6-Tetrasulfato-4-[(2S,3R,4S,5S,6R)-3,4,5-Trisulfato-6-(Sulfatomethyl)Tetrahydropyran-2-Yl]Oxy-Hexanoyl]Amino]Propylamino]Butoxy]-3,5-Disulfato-6-(Sulfatomethyl)Tetrahydropyran-4-Yl] Sulfate
• Molecular Formula: C₂₇H₃₄N₂Na₁₆O₇₀S₁₆
• Molecular Weight: 2387.33
• CAS Registry Number: 123072-45-7
• SMILES: [C@@H]([C@@H]([C@H](C(NCCCNC([C@@H]([C@H]([C@H](O[C@H]1[C@@H]([C@H]([C@@H](O[S](=O)(=O)[O-])[C@H](O1)CO[S](=O)(=O)[O-])O[S](=O)(=O)[O-])O[S](=O)(=O)[O-])[C@@H](CO[S](=O)(=O)[O-])O[S](=O)(=O)[O-])O[S](=O)(=O)[O-])O[S](=O)(=O)[O-])=O)=O)O[S](=O)(=O)[O-])O[S](=O)(=O)[O-])(O[C@H]2[C@@H]([C@H]([C@@H](O[S](=O)(=O)[O-])[C@H](O2)CO[S](=O)(=O)[O-])O[S](=O)(=O)[O-])O[S](=O)(=O)[O-])[C@@H](CO[S](=O)(=O)[O-])O[S](=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C27H50N2O70S16.16Na/c30-24(20(96-112(68,69)70)16(92-108(56,57)58)12(10(88-104(44,45)46)6-82-102(38,39)40)86-26-22(98-114(74,75)76)18(94-110(62,63)64)14(90-106(50,51)52)8(84-26)4-80-100(32,33)34)28-2-1-3-29-25(31)21(97-113(71,72)73)17(93-109(59,60)61)13(11(89-105(47,48)49)7-83-103(41,42)43)87-27-23(99-115(77,78)79)19(95-111(65,66)67)15(91-107(53,54)55)9(85-27)5-81-101(35,36)37;;;;;;;;;;;;;;;;/h8-23,26-27H,1-7H2,(H,28,30)(H,29,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79);;;;;;;;;;;;;;;;/q;16*+1/p-16/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21-,22-,23-,26+,27+;;;;;;;;;;;;;;;;/m1................/s1
• InChIKey: CXKOATPJKFZCEL-HPXJARCXSA-A