CID 17756769

Udp-4-amino-4-deoxy-beta-l-arabinopyranose

Structural Information

Molecular Formula
C14H23N3O15P2
SMILES
C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)N
InChI
InChI=1S/C14H23N3O15P2/c15-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)17-2-1-7(18)16-14(17)23/h1-2,5-6,8-13,19-22H,3-4,15H2,(H,24,25)(H,26,27)(H,16,18,23)/t5-,6+,8-,9+,10+,11+,12+,13+/m0/s1
InChIKey
GWBAKYBSWHQNMQ-IAZOVDBXSA-N
Compound name
[(2R,3R,4S,5S)-5-amino-3,4-dihydroxyoxan-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
2
Annotation Hits

0
References

3
Patents

535.0604 Da
Monoisotopic Mass

-9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.06768 206.4
[M+Na]+ 558.04962 208.2
[M-H]- 534.05312 201.6
[M+NH4]+ 553.09422 205.8
[M+K]+ 574.02356 206.7
[M+H-H2O]+ 518.05766 194.7
[M+HCOO]- 580.05860 208.4
[M+CH3COO]- 594.07425 237.9
[M+Na-2H]- 556.03507 214.3
[M]+ 535.05985 198.4
[M]- 535.06095 198.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe