CID 135539004

Ddgdp

Structural Information

Molecular Formula
C10H15N5O9P2
SMILES
C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)O)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C10H15N5O9P2/c11-10-13-8-7(9(16)14-10)12-4-15(8)6-2-1-5(23-6)3-22-26(20,21)24-25(17,18)19/h4-6H,1-3H2,(H,20,21)(H2,17,18,19)(H3,11,13,14,16)/t5-,6+/m0/s1
InChIKey
YYYHQQJYHWRQOG-NTSWFWBYSA-N
Compound name
[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

17
Patents

411.03452 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.04180 181.2
[M+Na]+ 434.02374 184.7
[M+NH4]+ 429.06834 179.9
[M+K]+ 449.99768 192.9
[M-H]- 410.02724 176.2
[M+Na-2H]- 432.00919 178.7
[M]+ 411.03397 179.0
[M]- 411.03507 179.0
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