Metabolite Lamivudine-monophosphate

Name

Lamivudine-monophosphate

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 309.236
Monoisotopic: 309.018442333

Chemical Formula

C₈H₁₂N₃O₆PS

InChI Key

WUMZLKDCOINBEA-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N3O6PS/c9-5-1-2-11(8(12)10-5)6-4-19-7(17-6)3-16-18(13,14)15/h1-2,6-7H,3-4H2,(H2,9,10,12)(H2,13,14,15)

IUPAC Name

{[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy}phosphonic acid

SMILES

NC1=NC(=O)N(C=C1)C1CSC(COP(O)(O)=O)O1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0002-9600000000-0f9e123a063ecdf6fad9
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0339000000-3abaac49f703313430ee
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0019000000-0a62f91472813590cbef
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0952000000-22a4fc5c2252c6acf1d9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-9100000000-a4af6d88c28fd4b80c50
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03xs-9840000000-ab0b183e7f7e0b48cc80
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-9400000000-d98c8a25771908cc42c4

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	173.7243826	predicted	DarkChem Lite v0.1.0
[M-H]-	157.32848	predicted	DeepCCS 1.0 (2019)
[M+H]+	174.6475826	predicted	DarkChem Lite v0.1.0
[M+H]+	159.68648	predicted	DeepCCS 1.0 (2019)
[M+Na]+	173.4266826	predicted	DarkChem Lite v0.1.0
[M+Na]+	166.19041	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties