CID 90658379

Udp-alpha-d-mannac3nama

Structural Information

Molecular Formula
C19H29N5O17P2
SMILES
CC(=N[C@@H]1[C@@H]([C@H](O[C@@H]([C@H]1O)C(=O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)N
InChI
InChI=1S/C19H29N5O17P2/c1-6(20)21-10-11(22-7(2)25)18(39-15(13(10)28)17(30)31)40-43(35,36)41-42(33,34)37-5-8-12(27)14(29)16(38-8)24-4-3-9(26)23-19(24)32/h3-4,8,10-16,18,27-29H,5H2,1-2H3,(H2,20,21)(H,22,25)(H,30,31)(H,33,34)(H,35,36)(H,23,26,32)/t8-,10-,11+,12-,13+,14-,15+,16-,18-/m1/s1
InChIKey
MZPFKUNCKIWISV-ZVWGYSLJSA-N
Compound name
(2S,3S,4R,5S,6R)-5-acetamido-4-(1-aminoethylideneamino)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-hydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

661.1034 Da
Monoisotopic Mass

-6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.11068 224.7
[M+Na]+ 684.09262 228.6
[M+NH4]+ 679.13722 227.0
[M+K]+ 700.06656 228.4
[M-H]- 660.09612 220.3
[M+Na-2H]- 682.07807 236.4
[M]+ 661.10285 225.0
[M]- 661.10395 225.0
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.