CID 5481350

Tenofovir disoproxil

Structural Information

Molecular Formula
C19H30N5O10P
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C
InChI
InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
InChIKey
JFVZFKDSXNQEJW-CQSZACIVSA-N
Compound name
[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5825
References

40823
Patents

519.17303 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.18031 209.7
[M+Na]+ 542.16225 212.7
[M+NH4]+ 537.20685 207.2
[M+K]+ 558.13619 217.7
[M-H]- 518.16575 202.6
[M+Na-2H]- 540.14770 206.9
[M]+ 519.17248 206.9
[M]- 519.17358 206.9
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

patents stripe