CID 24755534

Udp-2,3-diacetamido-2,3-dideoxy-alpha-d-glucuronate

Structural Information

Molecular Formula
C19H28N4O18P2
SMILES
CC(=O)N[C@@H]1[C@@H]([C@H](O[C@@H]([C@H]1O)C(=O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C
InChI
InChI=1S/C19H28N4O18P2/c1-6(24)20-10-11(21-7(2)25)18(39-15(13(10)28)17(30)31)40-43(35,36)41-42(33,34)37-5-8-12(27)14(29)16(38-8)23-4-3-9(26)22-19(23)32/h3-4,8,10-16,18,27-29H,5H2,1-2H3,(H,20,24)(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t8-,10-,11+,12-,13+,14-,15+,16-,18-/m1/s1
InChIKey
GZLIMKLKXDFTJR-ZVWGYSLJSA-N
Compound name
(2S,3S,4R,5S,6R)-4,5-diacetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-hydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

662.0874 Da
Monoisotopic Mass

-6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.09468 226.5
[M+Na]+ 685.07662 226.3
[M-H]- 661.08012 225.0
[M+NH4]+ 680.12122 226.3
[M+K]+ 701.05056 224.2
[M+H-H2O]+ 645.08466 214.2
[M+HCOO]- 707.08560 228.3
[M+CH3COO]- 721.10125 232.5
[M+Na-2H]- 683.06207 239.7
[M]+ 662.08685 223.6
[M]- 662.08795 223.6
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.