CID 22833580

O-6-deoxy-a-l-galactopyranosyl-(1->2)-o-b-d-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-d-galactose

Structural Information

Molecular Formula
C20H35NO15
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]([C@H](C=O)NC(=O)C)[C@H]([C@@H](CO)O)O)CO)O)O)O)O)O
InChI
InChI=1S/C20H35NO15/c1-6-11(27)14(30)16(32)19(33-6)36-18-15(31)13(29)10(5-24)34-20(18)35-17(12(28)9(26)4-23)8(3-22)21-7(2)25/h3,6,8-20,23-24,26-32H,4-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12-,13-,14+,15-,16-,17+,18+,19-,20-/m0/s1
InChIKey
SJHVKKOMMHUSLU-BKFPXMEMSA-N
Compound name
N-[(2R,3R,4S,5R)-3-[(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-4,5,6-trihydroxy-1-oxohexan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.2007 Da
Monoisotopic Mass

-6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.20798 217.5
[M+Na]+ 552.18992 218.6
[M+NH4]+ 547.23452 218.1
[M+K]+ 568.16386 220.3
[M-H]- 528.19342 210.7
[M+Na-2H]- 550.17537 236.7
[M]+ 529.20015 215.9
[M]- 529.20125 215.9
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.