CID 169553228

A lysogb3

Structural Information

Molecular Formula
C21H39NO17
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)OC[C@@H](CO)N)CO)CO)O)O)O)O
InChI
InChI=1S/C21H39NO17/c22-6(1-23)5-34-19-15(32)12(29)17(8(3-25)36-19)39-21-16(33)13(30)18(9(4-26)37-21)38-20-14(31)11(28)10(27)7(2-24)35-20/h6-21,23-33H,1-5,22H2/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15-,16-,17-,18+,19-,20-,21+/m1/s1
InChIKey
RMPXTIJJFUTLHC-VPAAOFJLSA-N
Compound name
(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[(2R)-2-amino-3-hydroxypropoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.2218 Da
Monoisotopic Mass

-7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.22908 224.7
[M+Na]+ 600.21102 224.4
[M+NH4]+ 595.25562 224.1
[M+K]+ 616.18496 228.7
[M-H]- 576.21452 216.7
[M+Na-2H]- 598.19647 243.0
[M]+ 577.22125 222.1
[M]- 577.22235 222.1
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.