CID 135511149

Hpddg

Structural Information

Molecular Formula
C41H72N5O10P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C2N=C(NC3=O)N)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C41H72N5O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-36(47)52-29-34(56-37(48)26-24-22-20-18-16-14-12-10-8-6-4-2)31-54-57(50,51)53-30-33-27-28-35(55-33)46-32-43-38-39(46)44-41(42)45-40(38)49/h32-35H,3-31H2,1-2H3,(H,50,51)(H3,42,44,45,49)/t33-,34+,35+/m0/s1
InChIKey
BUKPCCVHKTZNLM-BMPTZRATSA-N
Compound name
[(2R)-3-[[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

825.5017 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 826.50898 270.8
[M+Na]+ 848.49092 286.0
[M-H]- 824.49442 269.9
[M+NH4]+ 843.53552 280.3
[M+K]+ 864.46486 275.2
[M+H-H2O]+ 808.49896 268.4
[M+HCOO]- 870.49990 287.1
[M+CH3COO]- 884.51555 297.6
[M+Na-2H]- 846.47637 278.7
[M]+ 825.50115 271.3
[M]- 825.50225 271.3
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.