Identità

alpha,beta-Methylene-ATP

Mhux elenkat · C11H18N5O12P3

01Identità

Lazychem ID	LC-118455
CAS RN	Mhux elenkat
PubChem CID	91557
Molecular formula	C11H18N5O12P3
Molecular weight	505.21 g/mol
IUPAC name	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
InChIKey	CAWZRIXWFRFUQB-IOSLPCCCSA-N

02Struttura u stereokimika

Two-dimensional chemical structure of alpha,beta-Methylene-ATP — 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	0
Tertiary amines	0

SMILES	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N
InChI	Mhux elenkat

03Stereochemistry

The published structure contains 4 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres2Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 64Before 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.