Identita

Ecane

Neuvedeno · C20H44N4O4

01Identita

Lazychem IDLC-51969
CAS RNNeuvedeno
PubChem CID147341
Molecular formulaC20H44N4O4
Molecular weight404.6 g/mol
IUPAC name1-[4,7,10-tris(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
InChIKeyJHOCPWZBWNMPDD-UHFFFAOYSA-N

02Struktura a stereochemie

2D structurePubChem CID 147341
Two-dimensional chemical structure of Ecane
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count1
Secondary amines0
Tertiary amines4
SMILESCC(CN1CCN(CCN(CCN(CC1)CC(C)O)CC(C)O)CC(C)O)O
InChINeuvedeno

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres4Structure unspecified
Assignment statusUnassignedExact 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.

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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      06Zdroje