CID 16728928

[(3r,4s,5r)-5-(6-aminopurin-9-yl)-4-azido-tetrahydrofuran-3-yl]oxymethylphosphonic acid

Structural Information

Molecular Formula
C10H13N8O5P
SMILES
C1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)N=[N+]=[N-])OCP(=O)(O)O
InChI
InChI=1S/C10H13N8O5P/c11-8-7-9(14-2-13-8)18(3-15-7)10-6(16-17-12)5(1-22-10)23-4-24(19,20)21/h2-3,5-6,10H,1,4H2,(H2,11,13,14)(H2,19,20,21)/t5-,6-,10+/m0/s1
InChIKey
VVYJHFWKFMDKPW-JFWOZONXSA-N
Compound name
[(3R,4S,5R)-5-(6-aminopurin-9-yl)-4-azidooxolan-3-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.07465 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.08193 167.7
[M+Na]+ 379.06387 173.2
[M-H]- 355.06737 171.2
[M+NH4]+ 374.10847 176.5
[M+K]+ 395.03781 168.1
[M+H-H2O]+ 339.07191 160.6
[M+HCOO]- 401.07285 195.0
[M+CH3COO]- 415.08850 210.6
[M+Na-2H]- 377.04932 176.8
[M]+ 356.07410 166.1
[M]- 356.07520 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.