CID 44517206

Udp-beta-l-arabinofuranose(2-)

Structural Information

Molecular Formula
C14H22N2O16P2
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](O3)CO)O)O)O)O
InChI
InChI=1S/C14H22N2O16P2/c17-3-5-8(19)11(22)13(30-5)31-34(26,27)32-33(24,25)28-4-6-9(20)10(21)12(29-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6+,8-,9+,10+,11+,12+,13+/m0/s1
InChIKey
QGNZSCRNMXQWNR-IAZOVDBXSA-N
Compound name
[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-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
3
Annotation Hits

2
References

7
Patents

536.04443 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.05171 203.5
[M+Na]+ 559.03365 205.9
[M-H]- 535.03715 200.1
[M+NH4]+ 554.07825 203.3
[M+K]+ 575.00759 206.8
[M+H-H2O]+ 519.04169 192.2
[M+HCOO]- 581.04263 205.9
[M+CH3COO]- 595.05828 232.0
[M+Na-2H]- 557.01910 205.5
[M]+ 536.04388 192.3
[M]- 536.04498 192.3
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