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 219.1
[M+Na]+ 552.18992 217.3
[M-H]- 528.19342 214.9
[M+NH4]+ 547.23452 218.7
[M+K]+ 568.16386 216.2
[M+H-H2O]+ 512.19796 208.1
[M+HCOO]- 574.19890 220.9
[M+CH3COO]- 588.21455 242.2
[M+Na-2H]- 550.17537 245.4
[M]+ 529.20015 224.7
[M]- 529.20125 224.7
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.