CID 6334636

Azdda-5'-h2po3

Structural Information

Molecular Formula
C10H12N8O4P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO[P+](=O)O)N=[N+]=[N-]
InChI
InChI=1S/C10H11N8O4P/c11-9-8-10(14-3-13-9)18(4-15-8)7-1-5(16-17-12)6(22-7)2-21-23(19)20/h3-7H,1-2H2,(H2-,11,13,14,19,20)/p+1/t5-,6+,7+/m0/s1
InChIKey
DUZQZOZHWRVJDD-RRKCRQDMSA-O
Compound name
[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-azidooxolan-2-yl]methoxy-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

339.0719 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.079176 163.7
[M+Na]+ 362.061118 169.0
[M-H]- 338.064624 168.4
[M+NH4]+ 357.105723 173.3
[M+K]+ 378.035058 158.5
[M+H-H2O]+ 322.069160 158.3
[M+HCOO]- 384.070101 192.2
[M+CH3COO]- 398.085751 204.0
[M+Na-2H]- 360.046566 173.3
[M]+ 339.07135142 161.1
[M]- 339.07244858 161.1
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

patents stripe