CID 17756767

Udp-l-ara4o

Structural Information

Molecular Formula
C14H20N2O16P2
SMILES
C1C(=O)[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
InChI
InChI=1S/C14H20N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,6,8-13,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t6-,8+,9-,10-,11-,12-,13-/m1/s1
InChIKey
URJZIQLTPCJVMW-QNSCKLTRSA-N
Compound name
[(2R,3R,4R)-3,4-dihydroxy-5-oxooxan-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

2
References

1
Patents

534.0288 Da
Monoisotopic Mass

-6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.03608 203.2
[M+Na]+ 557.01802 205.0
[M-H]- 533.02152 198.8
[M+NH4]+ 552.06262 202.5
[M+K]+ 572.99196 201.7
[M+H-H2O]+ 517.02606 191.9
[M+HCOO]- 579.02700 205.2
[M+CH3COO]- 593.04265 234.0
[M+Na-2H]- 555.00347 208.9
[M]+ 534.02825 193.0
[M]- 534.02935 193.0
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