CID 447325

(2r,3r,4r,5r)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-d-glucopyranoside

Structural Information

Molecular Formula
C12H21NO10
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(=O)N1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI
InChI=1S/C12H21NO10/c14-1-3-10(7(18)8(19)11(21)13-3)23-12-9(20)6(17)5(16)4(2-15)22-12/h3-10,12,14-20H,1-2H2,(H,13,21)/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1
InChIKey
WXSNJJDPPISYEF-ZNLUKOTNSA-N
Compound name
(3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.11655 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12383 175.1
[M+Na]+ 362.10577 178.7
[M-H]- 338.10927 170.4
[M+NH4]+ 357.15037 180.5
[M+K]+ 378.07971 177.2
[M+H-H2O]+ 322.11381 168.5
[M+HCOO]- 384.11475 178.7
[M+CH3COO]- 398.13040 197.9
[M+Na-2H]- 360.09122 171.0
[M]+ 339.11600 169.1
[M]- 339.11710 169.1
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.