CID 135398728

2',3'-cyclic gmp

Structural Information

Molecular Formula
C10H12N5O7P
SMILES
C1=NC2=C(N1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N=C(NC2=O)N
InChI
InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)20-9)21-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
InChIKey
UASRYODFRYWBRC-UUOKFMHZSA-N
Compound name
9-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-2-amino-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

85
Patents

345.04742 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.05470 171.0
[M+Na]+ 368.03664 178.9
[M+NH4]+ 363.08124 174.8
[M+K]+ 384.01058 183.9
[M-H]- 344.04014 172.1
[M+Na-2H]- 366.02209 169.3
[M]+ 345.04687 171.9
[M]- 345.04797 171.9
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

patents stripe