CID 44123411

O-udp-glcnac

Structural Information

Molecular Formula
C17H25N3O17P2
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H](C=O)O[C@H](C=O)N2C=CC(=O)NC2=O)CO)O)O
InChI
InChI=1S/C17H25N3O17P2/c1-8(24)18-13-15(27)14(26)10(5-22)35-16(13)36-39(31,32)37-38(29,30)33-7-9(4-21)34-12(6-23)20-3-2-11(25)19-17(20)28/h2-4,6,9-10,12-16,22,26-27H,5,7H2,1H3,(H,18,24)(H,29,30)(H,31,32)(H,19,25,28)/t9-,10+,12+,13+,14+,15+,16+/m0/s1
InChIKey
GJEXIZXOLURDMW-MSXXSLDFSA-N
Compound name
[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

605.0659 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.07318 214.3
[M+Na]+ 628.05512 217.7
[M+NH4]+ 623.09972 215.8
[M+K]+ 644.02906 217.6
[M-H]- 604.05862 209.0
[M+Na-2H]- 626.04057 227.2
[M]+ 605.06535 213.6
[M]- 605.06645 213.6
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.