CID 118753080

Chembl3526604

Structural Information

Molecular Formula
C19H33NO13
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](CN([C@@H]3CO)C(=O)C)O)CO)O)O)O
InChI
InChI=1S/C19H33NO13/c1-6-11(25)12(26)14(28)18(30-6)33-17-10(5-22)31-19(15(29)13(17)27)32-16-8(4-21)20(7(2)23)3-9(16)24/h6,8-19,21-22,24-29H,3-5H2,1-2H3/t6-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18+,19-/m1/s1
InChIKey
CXYHCWWDNXTNJQ-QWWIYYRCSA-N
Compound name
1-[(2R,3R,4R)-3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

483.1952 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.20248 208.4
[M+Na]+ 506.18442 209.9
[M+NH4]+ 501.22902 206.6
[M+K]+ 522.15836 215.8
[M-H]- 482.18792 206.1
[M+Na-2H]- 504.16987 224.5
[M]+ 483.19465 206.7
[M]- 483.19575 206.7
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.