CID 126961092

Udp-aravonose

Structural Information

Molecular Formula
C19H27N3O19P2
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)NC(=O)CCC(=O)C(=O)O
InChI
InChI=1S/C19H27N3O19P2/c23-8(17(30)31)1-2-10(24)20-7-5-37-18(15(29)12(7)26)40-43(35,36)41-42(33,34)38-6-9-13(27)14(28)16(39-9)22-4-3-11(25)21-19(22)32/h3-4,7,9,12-16,18,26-29H,1-2,5-6H2,(H,20,24)(H,30,31)(H,33,34)(H,35,36)(H,21,25,32)/t7-,9+,12-,13+,14+,15+,16+,18+/m0/s1
InChIKey
DLGCWDASRUJGOT-FOSRMHLYSA-N
Compound name
5-[[(3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxyoxan-3-yl]amino]-2,5-dioxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

663.0714 Da
Monoisotopic Mass

-7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.07868 223.3
[M+Na]+ 686.06062 222.8
[M-H]- 662.06412 221.5
[M+NH4]+ 681.10522 222.7
[M+K]+ 702.03456 220.4
[M+H-H2O]+ 646.06866 210.9
[M+HCOO]- 708.06960 224.9
[M+CH3COO]- 722.08525 229.2
[M+Na-2H]- 684.04607 234.0
[M]+ 663.07085 217.9
[M]- 663.07195 217.9
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.