CID 477069

Azt-bispom phosphotriester

Structural Information

Molecular Formula
C22H34N5O11P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)N=[N+]=[N-]
InChI
InChI=1S/C22H34N5O11P/c1-13-9-27(20(31)24-17(13)28)16-8-14(25-26-23)15(38-16)10-35-39(32,36-11-33-18(29)21(2,3)4)37-12-34-19(30)22(5,6)7/h9,14-16H,8,10-12H2,1-7H3,(H,24,28,31)/t14-,15+,16+/m0/s1
InChIKey
FALKBFDMDYWFSF-ARFHVFGLSA-N
Compound name
[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

575.1992 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.20648 223.2
[M+Na]+ 598.18842 239.7
[M-H]- 574.19192 239.4
[M+NH4]+ 593.23302 241.0
[M+K]+ 614.16236 228.7
[M+H-H2O]+ 558.19646 210.8
[M+HCOO]- 620.19740 253.0
[M+CH3COO]- 634.21305 250.9
[M+Na-2H]- 596.17387 213.8
[M]+ 575.19865 221.8
[M]- 575.19975 221.8
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

No patent data available for this compound.