CID 44123293

Udp-2-acetamido-2,6-dideoxy-beta-l-arabino-hex-4-ulose(2-)

Structural Information

Molecular Formula
C17H25N3O16P2
SMILES
C[C@H]1C(=O)[C@@H]([C@H]([C@H](O1)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)O
InChI
InChI=1S/C17H25N3O16P2/c1-6-11(23)13(25)10(18-7(2)21)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)20-4-3-9(22)19-17(20)27/h3-4,6,8,10,12-16,24-26H,5H2,1-2H3,(H,18,21)(H,28,29)(H,30,31)(H,19,22,27)/t6-,8+,10+,12+,13+,14+,15+,16+/m0/s1
InChIKey
XBILTLYIKDPORV-QEEJMIEASA-N
Compound name
[(2R,3R,4R,6S)-3-acetamido-4-hydroxy-6-methyl-5-oxooxan-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
2
Annotation Hits

3
References

5
Patents

589.071 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.07828 213.4
[M+Na]+ 612.06022 216.2
[M+NH4]+ 607.10482 214.1
[M+K]+ 628.03416 217.8
[M-H]- 588.06372 207.2
[M+Na-2H]- 610.04567 222.4
[M]+ 589.07045 211.9
[M]- 589.07155 211.9
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

patents stripe