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 212.1
[M+Na]+ 628.05512 212.6
[M-H]- 604.05862 209.1
[M+NH4]+ 623.09972 211.3
[M+K]+ 644.02906 203.8
[M+H-H2O]+ 588.06316 197.8
[M+HCOO]- 650.06410 213.8
[M+CH3COO]- 664.07975 251.9
[M+Na-2H]- 626.04057 224.4
[M]+ 605.06535 208.2
[M]- 605.06645 208.2
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.