CID 22833591

O-6-deoxy-a-l-galactopyranosyl-(1->2)-o-b-d-galactopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy-d-arabino-hex-1-enitol

Structural Information

Molecular Formula
C20H33NO14
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](OC=C([C@H]3O)NC(=O)C)CO)CO)O)O)O)O)O
InChI
InChI=1S/C20H33NO14/c1-6-11(25)14(28)16(30)19(32-6)35-18-15(29)13(27)9(3-22)33-20(18)34-17-10(4-23)31-5-8(12(17)26)21-7(2)24/h5-6,9-20,22-23,25-30H,3-4H2,1-2H3,(H,21,24)/t6-,9+,10+,11+,12+,13-,14+,15-,16-,17+,18+,19-,20-/m0/s1
InChIKey
HNYYHAIRGRIQQX-JGMDXMHSSA-N
Compound name
N-[(2R,3S,4R)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.1901 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.19738 217.2
[M+Na]+ 534.17932 216.8
[M+NH4]+ 529.22392 216.3
[M+K]+ 550.15326 220.9
[M-H]- 510.18282 208.9
[M+Na-2H]- 532.16477 234.8
[M]+ 511.18955 214.2
[M]- 511.19065 214.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.