Identität

Diquafosol Impurity 39

Nicht angegeben · C9H14N2O12P2

01Identität

Lazychem ID	LC-40548
CAS RN	Nicht angegeben
PubChem CID	53486216
Molecular formula	C9H14N2O12P2
Molecular weight	404.16 g/mol
IUPAC name	[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
InChIKey	XCCTYIAWTASOJW-PSQAKQOGSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Diquafosol Impurity 39 — 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 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	2
Secondary amines	0
Tertiary amines	0

SMILES	C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)O)O)O
InChI	Nicht angegeben

03Stereochemistry

The published structure contains 4 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 32Before 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.