Identidad

Adenosine Impurity 63

No indicado · C14H18N5O7P

01Identidad

Lazychem ID	LC-49444
CAS RN	No indicado
PubChem CID	3344191
Molecular formula	C14H18N5O7P
Molecular weight	399.30 g/mol
IUPAC name	[6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
InChIKey	XJMWDVLBPAAXPW-UHFFFAOYSA-N

02Estructura y estereoquímica

Two-dimensional chemical structure of Adenosine Impurity 63 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

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

SMILES	CCCC(=O)OC1C2C(COP(=O)(O2)O)OC1N3C=NC4=C(N=CN=C43)N
InChI	No indicado

03Stereochemistry

The published structure contains 0 defined and 5 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres5Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 32Before 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.