2'-Deoxy-N-[(12-Methyl-7-Tetraphenyl)Methyl]Adenosine

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Properties Simple | Detailed

Formula C30H27N5O3
IUPAC Name (2r,3s,5r)-2-(hydroxymethyl)-5-[6-[(12-methyl-1,2,3,4,9,10-hexahydrobenzo[a]anthracene-1,2,3,4,9,10-hexaid-7-yl)methylamino]purin-7-ium-9-yl]tetrahydrofuran-3-ol
Molecular Mass 505.567 g·mol−1
Heat of Formation 21.5 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 579.88 Å 3
Surface Area 491.96 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5r)-2-(hydroxymethyl)-5-[6-[(12-methyl-7-benzo[b]phenanthrenyl)methylamino]-9-purinyl]-3-tetrahydrofuranol
  • (2r,3s,5r)-2-(hydroxymethyl)-5-[6-[(12-methylbenzo[b]phenanthren-7-yl)methylamino]purin-9-yl]oxolan-3-ol
  • (2r,3s,5r)-2-(hydroxymethyl)-5-[6-[(12-methylbenzo[b]phenanthren-7-yl)methylamino]purin-9-yl]tetrahydrofuran-3-ol
  • (2r,3s,5r)-5-[6-[(12-methylbenzo[b]phenanthren-7-yl)methylamino]purin-9-yl]-2-methylol-tetrahydrofuran-3-ol
  • adenosine, 2'-deoxy-n-((12-methylbenz(a)anthracen-7-yl)methyl)-
  • mbamda
  • n(6)-(12-methylbenz(a)anthracenyl-7-methyl)deoxyadenosine
  • n(6)-(12-methylbenzanthracenyl-7-methyl)deoxyadenosine
CAS Number(s)
  • 78493-10-4
InChIKey QTJKRASRUTVRSR-JIMJEQGWSA-N
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