CID 16667369

Udp-alpha-d-kanosamine(1-)

Structural Information

Molecular Formula
C15H25N3O16P2
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)O)O
InChI
InChI=1S/C15H25N3O16P2/c16-8-9(21)5(3-19)32-14(11(8)23)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4,16H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8+,9-,10-,11-,12-,13-,14-/m1/s1
InChIKey
KGGAKOCPPBMRSA-SAINOKEESA-N
Compound name
[(2R,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-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

16
Patents

565.071 Da
Monoisotopic Mass

-8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.07828 211.2
[M+Na]+ 588.06022 212.8
[M-H]- 564.06372 206.6
[M+NH4]+ 583.10482 210.6
[M+K]+ 604.03416 211.5
[M+H-H2O]+ 548.06826 200.0
[M+HCOO]- 610.06920 213.1
[M+CH3COO]- 624.08485 244.0
[M+Na-2H]- 586.04567 219.8
[M]+ 565.07045 202.7
[M]- 565.07155 202.7
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

patents stripe