CID 52921684

Udp-2-acetamido-2-deoxy-alpha-d-ribo-hex-3-uluronate

Structural Information

Molecular Formula
C17H23N3O18P2
SMILES
CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](C1=O)O)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
InChI
InChI=1S/C17H23N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-9,11-14,16,23,25-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8-,9-,11+,12-,13+,14-,16-/m1/s1
InChIKey
FQYJGWJSECSVLP-AZKAKUJRSA-N
Compound name
(2S,3R,5S,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-hydroxy-4-oxooxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

619.04517 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.05245 215.5
[M+Na]+ 642.03439 218.8
[M+NH4]+ 637.07899 216.8
[M+K]+ 658.00833 220.4
[M-H]- 618.03789 210.0
[M+Na-2H]- 640.01984 226.2
[M]+ 619.04462 214.6
[M]- 619.04572 214.6
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.