Идентичност

Prunasin

Не е посочено · C14H17NO6

01Идентичност

Lazychem IDLC-115811
CAS RNНе е посочено
PubChem CID119033
Molecular formulaC14H17NO6
Molecular weight295.29 g/mol
IUPAC name(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
InChIKeyZKSZEJFBGODIJW-GMDXDWKASA-N

02Структура и стереохимия

2D structurePubChem CID 119033
Two-dimensional chemical structure of Prunasin
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres6
Ring count2
Secondary amines0
Tertiary amines0
SMILESC1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChIНе е посочено

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before 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.

04Статус в Индия

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

05Имена и връзки

API и изходно лекарство

Не е посочено

Имена и връзки

    Примеси и сродни съединения

      06Източници