CID 23724518

Udp-3-keto-alpha-d-glucose(2-)

Structural Information

Molecular Formula
C15H22N2O17P2
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(=O)[C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C15H22N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-9,11-14,18,20-21,23-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,11-,12-,13-,14-/m1/s1
InChIKey
VRDZHCNPFRUVRQ-SZNRHJFNSA-N
Compound name
[(2R,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-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
1
Annotation Hits

0
References

3
Patents

564.03937 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.04665 207.8
[M+Na]+ 587.02859 209.5
[M-H]- 563.03209 203.6
[M+NH4]+ 582.07319 207.1
[M+K]+ 603.00253 206.3
[M+H-H2O]+ 547.03663 197.0
[M+HCOO]- 609.03757 209.7
[M+CH3COO]- 623.05322 240.0
[M+Na-2H]- 585.01404 214.2
[M]+ 564.03882 197.2
[M]- 564.03992 197.2
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

patents stripe