CID 135596618

5'-guanylic acid, 7-oxide, disodium salt, pentahydrate

Structural Information

Molecular Formula
C10H14N5O9P
SMILES
C1=[N+](C2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)[O-]
InChI
InChI=1S/C10H14N5O9P/c11-10-12-7-4(8(18)13-10)15(19)2-14(7)9-6(17)5(16)3(24-9)1-23-25(20,21)22/h2-3,5-6,9,16-17H,1H2,(H2,20,21,22)(H3,11,12,13,18)/t3-,5-,6-,9-/m1/s1
InChIKey
BUBORJWOHDEIGW-UUOKFMHZSA-N
Compound name
[(2R,3S,4R,5R)-5-(2-amino-7-oxido-6-oxo-1H-purin-7-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

379.05292 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.06020 174.9
[M+Na]+ 402.04214 181.8
[M+NH4]+ 397.08674 174.8
[M+K]+ 418.01608 190.9
[M-H]- 378.04564 171.9
[M+Na-2H]- 400.02759 171.8
[M]+ 379.05237 173.9
[M]- 379.05347 173.9
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

No patent data available for this compound.