Deoxyribosyl thymine

01Identität

Lazychem ID	LC-50871
CAS RN	Nicht angegeben
PubChem CID	448456
Molecular formula	C10H14N2O5
Molecular weight	242.23 g/mol
IUPAC name	1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChIKey	IQFYYKKMVGJFEH-KJFJCRTCSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Deoxyribosyl thymine — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres	2
Ring count	2
Secondary amines	0
Tertiary amines	0

SMILES	CC1=CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O
InChI	Nicht angegeben

03Stereochemistry

The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

7 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.

CAS not listed

IQFYYKKMVGJFEH-KJFJCRTCSA-N

Current configuration

1-(2-Deoxypentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one

CAS not listed

IQFYYKKMVGJFEH-UHFFFAOYSA-N

0 defined, 3 unassigned centres