CID 135410865

Gdp(beta-s)

Structural Information

Molecular Formula
C10H15N5O10P2S
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N
InChI
InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey
QJXJXBXFIOTYHB-UUOKFMHZSA-N
Compound name
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

564
References

255
Patents

459.0015 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.00878 191.3
[M+Na]+ 481.99072 193.5
[M+NH4]+ 477.03532 189.2
[M+K]+ 497.96466 199.3
[M-H]- 457.99422 185.4
[M+Na-2H]- 479.97617 196.9
[M]+ 459.00095 189.1
[M]- 459.00205 189.1
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