Tcmdc-123493

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Properties Simple | Detailed

Formula C22H29N7O5
IUPAC Name (2r)-2-amino-n-[(2s,3s,4r,5r)-5-[6-(dimethylamino)purine-1,3,7-triium-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-phenyl-propanamide; methanone
Molecular Mass 471.510 g·mol−1
Heat of Formation -535.0 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 546.84 Å 3
Surface Area 474.51 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-n-[(2s,3s,4r,5r)-5-(6-dimethylamino-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl]-3-(4-methoxyphenyl)propanamide
  • (2r)-2-amino-n-[(2s,3s,4r,5r)-5-(6-dimethylaminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide
  • (2r)-2-amino-n-[(2s,3s,4r,5r)-5-(6-dimethylaminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propanamide
  • (2r)-2-amino-n-[(2s,3s,4r,5r)-5-(6-dimethylaminopurin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propionamide
  • (s)-3'-((2-amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-n,n-dimethyladenosine
  • 3'-(l-alpha-amino-p-methoxyhydrocinnamamido)-3'-deoxy-n,n-dimethyladenosine
  • 3123l
  • 6-dimethylamino-9-(3'-(p-methoxy-l-phenylalanylamino)-beta-d-ribofuranosyl)-purine
  • achromycin
  • achromycin (purine derivative)
  • adenosine, 3'-((2-amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-n,n-dimethyl-, (s)-
  • adenosine, 3'-(alpha-amino-p-methoxyhydrocinnamamido)-3'-deoxy-n,n-dimethyl-, l-
  • cl 13,900
  • p-638
  • smp1_000250
InChIKey RXWNCPJZOCPEPQ-FNQTVZJVSA-N
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