CID 102333246

Udp-2-acetamido-3-amino-2,3-dideoxy-alpha-d-glucopyranose

Structural Information

Molecular Formula
C17H28N4O16P2
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]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)N
InChI
InChI=1S/C17H28N4O16P2/c1-6(23)19-11-10(18)12(25)7(4-22)35-16(11)36-39(31,32)37-38(29,30)33-5-8-13(26)14(27)15(34-8)21-3-2-9(24)20-17(21)28/h2-3,7-8,10-16,22,25-27H,4-5,18H2,1H3,(H,19,23)(H,29,30)(H,31,32)(H,20,24,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1
InChIKey
QPTCOSNRFJXEED-CFRASDGPSA-N
Compound name
[(2R,3R,4R,5S,6R)-3-acetamido-4-amino-5-hydroxy-6-(hydroxymethyl)oxan-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

606.09753 Da
Monoisotopic Mass

-9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.10481 216.3
[M+Na]+ 629.08675 219.4
[M+NH4]+ 624.13135 217.5
[M+K]+ 645.06069 220.2
[M-H]- 605.09025 210.6
[M+Na-2H]- 627.07220 225.3
[M]+ 606.09698 215.3
[M]- 606.09808 215.3
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.