Molecular properties
- Formula
- C12H15N5O3
- Molar mass
- 277.28 g·mol−1
- Exact mass
- 277.1175 Da
- 8
- PubChem CID
- 135398508
Molecule record
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
C12H15N5O3
277.28 g/mol
Loading structure
Functional groups
Alcohol
Alkane / alkyl carbon
Alkene
Aromatic ring
Primary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 142217-69-4
- 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-3H-purin-6-one
- 5968Y6H45M
- 604-279-5
- 6H-Purin-6-One, 2-Amino-1,9-Dihydro-9-((1S,3R,4S)-4-Hydroxy-3-(Hydroxymethyl)-2-Methylenecyclopentyl)-Monohydrate
- 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-
- 9-((1S,3R,4S)-4-Hydroxy-3-(Hydroxymethyl)-2-Methylenecyclopentyl)Guanine Monohydrate
- BMS 200475
Show all 24 synonyms
- BMS-200475-01
- BMS-20047501
- BMS20047501
- Baraclude
- CHEBI:473990
- DTXCID2026446
- DTXSID4046446
- Entecavir
- Entecavir anhydrous
- Entecavirum
- J05AF10
- NNU2O4609D
- RefChem:5792
- SQ-34676
- SQ34676
- anhydrous entecavir
Structure identifiers
- Canonical SMILES
- C=C1[C@H](CO)[C@@H](O)C[C@@H]1n1cnc2c(=O)[nH]c(N)nc21
- Isomeric SMILES
- C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2N=C(NC3=O)N
- InChI
- InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1
- InChIKey
- QDGZDCVAUDNJFG-FXQIFTODSA-N
- PubChem CID
- 135398508
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-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.