Tożsamość

Bromoester 1

Nie podano · C14H15BrN4O6

01Tożsamość

Lazychem IDLC-34888
CAS RNNie podano
PubChem CID135450830
Molecular formulaC14H15BrN4O6
Molecular weight415.20 g/mol
IUPAC name[(2R,3R,4S,5R)-3-acetyloxy-4-bromo-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate
InChIKeyXZRVXFKCXNQGNJ-SZRLZVLASA-N

02Struktura i stereochemia

2D structurePubChem CID 135450830
Two-dimensional chemical structure of Bromoester 1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count3
Secondary amines0
Tertiary amines0
SMILESCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CNC3=O)Br)OC(=O)C
InChINie podano

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 w Indiach

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nazwy i powiązania

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