Identität

Cytidine Impurity 68

Nicht angegeben · C34H35N3O9P+

01Identität

Lazychem ID	LC-46510
CAS RN	Nicht angegeben
PubChem CID	11104301
Molecular formula	C34H35N3O9P+
Molecular weight	660.6 g/mol
IUPAC name	[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-cyanoethoxy)-oxophosphanium
InChIKey	PBFXWGCGVBUEOD-OJDZSJEKSA-O

02Struktur und Stereochemie

Two-dimensional chemical structure of Cytidine Impurity 68 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 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	5
Secondary amines	0
Tertiary amines	0

SMILES	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O[P+](=O)OCCC#N
InChI	Nicht angegeben

03Stereochemistry

The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially 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.