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 219.9
[M+Na]+ 629.08675 220.9
[M-H]- 605.09025 216.3
[M+NH4]+ 624.13135 219.5
[M+K]+ 645.06069 219.9
[M+H-H2O]+ 589.09479 208.1
[M+HCOO]- 651.09573 221.8
[M+CH3COO]- 665.11138 226.2
[M+Na-2H]- 627.07220 231.4
[M]+ 606.09698 214.9
[M]- 606.09808 214.9
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

No patent data available for this compound.