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]+ 340.07918 163.7
[M+Na]+ 362.06112 169.0
[M-H]- 338.06462 168.4
[M+NH4]+ 357.10572 173.3
[M+K]+ 378.03506 158.5
[M+H-H2O]+ 322.06916 158.3
[M+HCOO]- 384.07010 192.2
[M+CH3COO]- 398.08575 204.0
[M+Na-2H]- 360.04657 173.3
[M]+ 339.07135 161.1
[M]- 339.07245 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