CID 439536

Udp-apiose

Structural Information

Molecular Formula
C14H22N2O16P2
SMILES
C1[C@@]([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)(CO)O
InChI
InChI=1S/C14H22N2O16P2/c17-4-14(23)5-28-12(10(14)21)31-34(26,27)32-33(24,25)29-3-6-8(19)9(20)11(30-6)16-2-1-7(18)15-13(16)22/h1-2,6,8-12,17,19-21,23H,3-5H2,(H,24,25)(H,26,27)(H,15,18,22)/t6-,8-,9-,10+,11-,12-,14-/m1/s1
InChIKey
SYVORCSTSYHSPN-UXAZDEAISA-N
Compound name
[(2R,3R,4R)-3,4-dihydroxy-4-(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

12
References

63
Patents

536.04443 Da
Monoisotopic Mass

-6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.05171 199.7
[M+Na]+ 559.03365 202.4
[M+NH4]+ 554.07825 199.8
[M+K]+ 575.00759 204.2
[M-H]- 535.03715 192.7
[M+Na-2H]- 557.01910 202.8
[M]+ 536.04388 197.4
[M]- 536.04498 197.4
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