CID 101525377

Udp-n-acetyl-alpha-d-xylosamine

Structural Information

Molecular Formula
C16H25N3O16P2
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H](CO[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O
InChI
InChI=1S/C16H25N3O16P2/c1-6(20)17-10-11(23)7(21)4-31-15(10)34-37(29,30)35-36(27,28)32-5-8-12(24)13(25)14(33-8)19-3-2-9(22)18-16(19)26/h2-3,7-8,10-15,21,23-25H,4-5H2,1H3,(H,17,20)(H,27,28)(H,29,30)(H,18,22,26)/t7-,8-,10-,11+,12-,13-,14-,15-/m1/s1
InChIKey
UEPNWXBOXKZBEW-MLNBQNOVSA-N
Compound name
[(2R,3R,4R,5R)-3-acetamido-4,5-dihydroxyoxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.071 Da
Monoisotopic Mass

-6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.07828 212.6
[M+Na]+ 600.06022 213.9
[M-H]- 576.06372 208.9
[M+NH4]+ 595.10482 212.1
[M+K]+ 616.03416 211.5
[M+H-H2O]+ 560.06826 200.7
[M+HCOO]- 622.06920 214.6
[M+CH3COO]- 636.08485 246.2
[M+Na-2H]- 598.04567 221.5
[M]+ 577.07045 205.9
[M]- 577.07155 205.9
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.