CID 86289712

Udp-2-acetamido-2-deoxy-3-dehydro-alpha-d-glucopyranose(2-)

Structural Information

Molecular Formula
C17H25N3O17P2
SMILES
CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](C1=O)O)CO)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/C17H25N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-12,14-16,21,24-25,27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,14-,15-,16-/m1/s1
InChIKey
OYJZKJWFDYJVEF-OOOKLUETSA-N
Compound name
[(2R,3S,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-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
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 216.4
[M+Na]+ 628.05512 217.5
[M-H]- 604.05862 213.2
[M+NH4]+ 623.09972 215.9
[M+K]+ 644.02906 214.6
[M+H-H2O]+ 588.06316 204.9
[M+HCOO]- 650.06410 218.3
[M+CH3COO]- 664.07975 252.9
[M+Na-2H]- 626.04057 225.7
[M]+ 605.06535 209.3
[M]- 605.06645 209.3
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.