N-[(7R,8S,9R,10S)-7,8,9-Trihydroxy-7,8,9,10-Tetrahydrobenzo[Pqr]Tetraphen-10-Yl]Guanosine

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Properties Simple | Detailed

Formula C30H27N5O8
IUPAC Name 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-[[(7r,8s,9r,10s)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3h-purin-6-one
Molecular Mass 585.564 g·mol−1
Heat of Formation -888.2 ± 16.7 kJ·mol−1
Dipole Moment 9.03 ± 1.08 D
Volume 634.22 Å 3
Surface Area 516.86 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-[[(7r,8s,9r,10s)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3h-purin-6-one
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(7r,8s,9r,10s)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3h-purin-6-one
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-[[(7r,8s,9r,10s)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3h-purin-6-one
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2-[[(7r,8s,9r,10s)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3h-purin-6-one
  • b(a)p-n(2)-gua
  • guanosine, n-(7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo(a)pyren-10-yl)-, (7r-(7alpha,8beta,9beta,10alpha))-
  • guanosine, n-(7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo(a)pyren-10-yl)-, (7s-(7alpha,8beta,9beta,10alpha))-
  • n(2)-(7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo(a)pyren-10-yl)guanine
CAS Number(s)
  • 60653-69-2
  • 60872-70-0
InChIKey HXNFUTRJOFCAIQ-ROIICUITSA-N
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