Identität

8-Hydroxymethylriboflavin

Nicht angegeben · C17H20N4O7

01Identität

Lazychem ID	LC-51647
CAS RN	Nicht angegeben
PubChem CID	193866
Molecular formula	C17H20N4O7
Molecular weight	392.4 g/mol
IUPAC name	8-(hydroxymethyl)-7-methyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
InChIKey	GZKQMBNNNFCACH-MBNYWOFBSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of 8-Hydroxymethylriboflavin — 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 3 defined stereocentres. These statements are calculated from the published structure string.

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

SMILES	CC1=CC2=C(C=C1CO)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](CO)O)O)O
InChI	Nicht angegeben

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 8Before 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.