CID 16683100
Stibamine glucoside
Structural Information
- Molecular Formula
- C36H50N3O22Sb3
- SMILES
- C1=CC(=CC=C1N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[Sb](=O)(O)O[Sb](=O)(C3=CC=C(C=C3)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[Sb](=O)(C5=CC=C(C=C5)N[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O
- InChI
- InChI=1S/3C12H16NO5.2H2O.5O.3Sb/c3*14-6-8-9(15)10(16)11(17)12(18-8)13-7-4-2-1-3-5-7;;;;;;;;;;/h3*2-5,8-17H,6H2;2*1H2;;;;;;;;/q;;;;;;;;;;;2*+1/p-2/t3*8-,9-,10+,11-,12-;;;;;;;;;;/m111........../s1
- InChIKey
- COYXHTQLYJNUGB-VZUYEAPTSA-L
- Compound name
- [[hydroxy-[4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]stiboryl]oxy-[4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]stiboryl]oxy-[4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]stibinic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1240.0073 | 287.9 |
[M+Na]+ | 1261.9892 | 290.0 |
[M+NH4]+ | 1257.0338 | 290.3 |
[M+K]+ | 1277.9632 | 292.4 |
[M-H]- | 1237.9927 | 284.8 |
[M+Na-2H]- | 1259.9747 | 309.8 |
[M]+ | 1238.9995 | 289.0 |
[M]- | 1239.0005 | 289.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.