Azonosítás

2,4-Pentanediol, (+)-

Nincs megadva · C5H12O2

01Azonosítás

Lazychem IDLC-83522
CAS RNNincs megadva
PubChem CID6950200
Molecular formulaC5H12O2
Molecular weight104.15 g/mol
IUPAC name(2S,4S)-pentane-2,4-diol
InChIKeyGTCCGKPBSJZVRZ-WHFBIAKZSA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 6950200
Two-dimensional chemical structure of 2,4-Pentanediol, (+)-
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count0
Secondary amines0
Tertiary amines0
SMILESC[C@@H](C[C@H](C)O)O
InChINincs megadva

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.

04Indiai státusz

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

05Nevek és kapcsolatok

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      06Források