CID 75607483

Lamivudine-diphosphate

Structural Information

Molecular Formula
C8H13N3O9P2S
SMILES
C1C(OC(S1)COP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C8H13N3O9P2S/c9-5-1-2-11(8(12)10-5)6-4-23-7(19-6)3-18-22(16,17)20-21(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H2,9,10,12)(H2,13,14,15)
InChIKey
AAHOBGDTTMOZKD-UHFFFAOYSA-N
Compound name
[5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

388.98477 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.99205 171.4
[M+Na]+ 411.97399 175.3
[M-H]- 387.97749 169.8
[M+NH4]+ 407.01859 178.4
[M+K]+ 427.94793 176.4
[M+H-H2O]+ 371.98203 159.8
[M+HCOO]- 433.98297 192.6
[M+CH3COO]- 447.99862 208.3
[M+Na-2H]- 409.95944 172.0
[M]+ 388.98422 173.7
[M]- 388.98532 173.7
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.