2D structurePubChem CID 145705861
Identità
CID 145705861
Mhux elenkat · C12H15N5O4
01Identità
| Lazychem ID | LC-34122 |
|---|---|
| CAS RN | Mhux elenkat |
| PubChem CID | 145705861 |
| Molecular formula | C12H15N5O4 |
| Molecular weight | 293.28 g/mol |
| IUPAC name | 9-[(3aS)-3a,6-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-4-yl]-2-amino-1H-purin-6-one |
| InChIKey | UFPRRUBSRXSXDT-OIMCLZERSA-N |
02Struttura u stereokimika
2D structurePubChem CID 145705861
The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.
| Defined stereocentres | 1 |
|---|---|
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1C(C2COC[C@]2(C1N3C=NC4=C3N=C(NC4=O)N)O)O |
|---|---|
| InChI | Mhux elenkat |
03Stereochemistry
The published structure contains 1 defined and 3 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres1Structure assigned
Unassigned centres3Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction
Published same-connectivity configurations
2 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 135743572
![Two-dimensional chemical structure of 2-amino-9-((3aS,4S,6S,6aR)-3a,6-dihydroxyhexahydro-1H-cyclopenta[c]furan-4-yl)-3H-purin-6(9H)-one](/structures/pubchem/135743572-300.png)
2-amino-9-((3aS,4S,6S,6aR)-3a,6-dihydroxyhexahydro-1H-cyclopenta[c]furan-4-yl)-3H-purin-6(9H)-one
CAS not listed
UFPRRUBSRXSXDT-FJXCCRBCSA-N
4 defined, 0 unassigned centres
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Status fl-Indja
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Ismijiet u relazzjonijiet
API u mediċina prinċipali
Mhux elenkat
Ismijiet u relazzjonijiet
06Sorsi
- S01PubChem CID 145705861
Structure and machine-readable chemical identifiers.