CID 22833589

O-6-deoxy-a-l-galactopyranosyl-(1->2)-o-b-d-galactopyranosyl-(1->3)-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]([C@H](OC=C3NC(=O)C)CO)O)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)12(26)10(4-23)33-20(18)34-17-8(21-7(2)24)5-31-9(3-22)13(17)27/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
UGHZPGYGEJKBOY-LMHWPNOYSA-N
Compound name
N-[(2R,3S,4R)-4-[(2R,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-3-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

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.19738 221.3
[M+Na]+ 534.17932 220.8
[M-H]- 510.18282 214.2
[M+NH4]+ 529.22392 220.6
[M+K]+ 550.15326 220.8
[M+H-H2O]+ 494.18736 213.7
[M+HCOO]- 556.18830 222.9
[M+CH3COO]- 570.20395 240.6
[M+Na-2H]- 532.16477 246.6
[M]+ 511.18955 222.6
[M]- 511.19065 222.6
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.