Ταυτότητα

8-Hydroxywarfarin, (S)-

Δεν αναφέρεται · C19H16O5

01Ταυτότητα

Lazychem ID	LC-40217
CAS RN	Δεν αναφέρεται
PubChem CID	54742169
Molecular formula	C19H16O5
Molecular weight	324.3 g/mol
IUPAC name	4,8-dihydroxy-3-[(1S)-3-oxo-1-phenylbutyl]chromen-2-one
InChIKey	BHBOXPNWDGYJNB-AWEZNQCLSA-N

02Δομή και στερεοχημεία

Two-dimensional chemical structure of 8-Hydroxywarfarin, (S)- — 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 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	CC(=O)C[C@@H](C1=CC=CC=C1)C2=C(C3=C(C(=CC=C3)O)OC2=O)O
InChI	Δεν αναφέρεται

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

3 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.