Ταυτότητα

N6-(2-hydroxyethyl)adenosine

Δεν αναφέρεται · C12H17N5O5

01Ταυτότητα

Lazychem ID	LC-117623
CAS RN	Δεν αναφέρεται
PubChem CID	96124
Molecular formula	C12H17N5O5
Molecular weight	311.29 g/mol
IUPAC name	(2R,3R,4S,5R)-2-[6-(2-hydroxyethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChIKey	BBOCDRLDMQHWJP-WOUKDFQISA-N

02Δομή και στερεοχημεία

Two-dimensional chemical structure of N6-(2-hydroxyethyl)adenosine — 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 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	3
Secondary amines	1
Tertiary amines	0

SMILES	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCCO
InChI	Δεν αναφέρεται

03Stereochemistry

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

Defined centres4Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact 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.