Identita

95Tfy2QT38

Neuvedeno · C17H23NO3

01Identita

Lazychem IDLC-38199
CAS RNNeuvedeno
PubChem CID71572814
Molecular formulaC17H23NO3
Molecular weight289.4 g/mol
IUPAC nametert-butyl N-[(1S,2S)-1-hydroxy-1-phenylhex-5-yn-2-yl]carbamate
InChIKeyGNBAHXDALHEPGP-GJZGRUSLSA-N

02Struktura a stereochemie

2D structurePubChem CID 71572814
Two-dimensional chemical structure of 95Tfy2QT38
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count1
Secondary amines0
Tertiary amines0
SMILESCC(C)(C)OC(=O)N[C@@H](CCC#C)[C@H](C1=CC=CC=C1)O
InChINeuvedeno

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

2 records

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.

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.

04Stav v Indii

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

05Názvy a vztahy

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Názvy a vztahy

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      06Zdroje