benzamide adenine nucleotide - CAS 156724-91-3

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Catalog Number: M098906

CAS Number: 156724-91-3

PubChem Substance ID:355146303

Molecular Formula: C22H28N6O14P2

Molecular Weight:662.442

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

Synonymsbenzamide adenine nucleotide

Property

Molecular Formula: C22H28N6O14P2
Molecular Weight662.442
Purity≥95%
StorageDesiccate at RT

Computed Descriptor

IUPAC Name[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
InChIInChI=1S/C22H28N6O14P2/c23-19-13-21(26-7-25-19)28(8-27-13)22-17(32)15(30)12(41-22)6-39-44(36,37)42-43(34,35)38-5-11-14(29)16(31)18(40-11)9-2-1-3-10(4-9)20(24)33/h1-4,7-8,11-12,14-18,22,29-32H,5-6H2,(H2,24,33)(H,34,35)(H,36,37)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,18+,22-/m1/s1
InChIKeyHNKKJJHKTPALEK-RACQCECLSA-N
SMILESC1=CC(=CC(=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N