CID 17756768

Udp-4-deoxy-4-formamido-beta-l-arabinopyranose

Structural Information

Molecular Formula
C15H23N3O16P2
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
InChI
InChI=1S/C15H23N3O16P2/c19-5-16-6-3-30-14(12(24)9(6)21)33-36(28,29)34-35(26,27)31-4-7-10(22)11(23)13(32-7)18-2-1-8(20)17-15(18)25/h1-2,5-7,9-14,21-24H,3-4H2,(H,16,19)(H,26,27)(H,28,29)(H,17,20,25)/t6-,7+,9-,10+,11+,12+,13+,14+/m0/s1
InChIKey
QGYFHZBDXXNYAX-RTXATJJPSA-N
Compound name
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S)-5-formamido-3,4-dihydroxyoxan-2-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

563.05536 Da
Monoisotopic Mass

-6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.06264 210.2
[M+Na]+ 586.04458 211.6
[M-H]- 562.04808 205.6
[M+NH4]+ 581.08918 209.5
[M+K]+ 602.01852 209.5
[M+H-H2O]+ 546.05262 198.6
[M+HCOO]- 608.05356 212.0
[M+CH3COO]- 622.06921 243.0
[M+Na-2H]- 584.03003 217.9
[M]+ 563.05481 201.3
[M]- 563.05591 201.3
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