Identität

Calcium dextrofolinate

Nicht angegeben · C20H21CaN7O7

01Identität

Lazychem ID	LC-34858
CAS RN	Nicht angegeben
PubChem CID	135484650
Molecular formula	C20H21CaN7O7
Molecular weight	511.5 g/mol
IUPAC name	calcium (2S)-2-[[4-[[(6R)-2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate
InChIKey	KVUAALJSMIVURS-KZCZEQIWSA-L

02Struktur und Stereochemie

Two-dimensional chemical structure of Calcium dextrofolinate — 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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	3
Secondary amines	2
Tertiary amines	0

SMILES	C1[C@H](N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Ca+2]
InChI	Nicht angegeben

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4Before 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.