Molecular properties
- Formula
- C13H20N6O4
- Molar mass
- 324.34 g·mol−1
- Exact mass
- 324.1546 Da
- 7
- PubChem CID
- 135398742
Molecule record
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate
C13H20N6O4
324.34 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Ester
Ether
Primary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 124832-26-4
- 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl L-valinate
- 2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate
- 603-015-6
- 658-047-3
- CHEBI:35854
- DTXCID403732
- DTXSID1023732
Show all 24 synonyms
- J05AB11
- L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanine
- L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester
- L-valyl Ester Acyclovir
- L-valylacyclovir
- MZ1IW7Q79D
- RefChem:56196
- Val-ACV
- ValACV
- Valaciclovir
- Valaciclovirum
- Valcyclovir
- Valtrex
- Zelitrex
- acyclovir, L-valyl ester
- valacyclovir
Structure identifiers
- Canonical SMILES
- CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21
- Isomeric SMILES
- CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N
- InChI
- InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1
- InChIKey
- HDOVUKNUBWVHOX-QMMMGPOBSA-N
- PubChem CID
- 135398742
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.