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

compound 2d structure
1
Annotation Hits

0
References

26
Patents

1239.0 Da
Monoisotopic Mass

None
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.