Formula |
C30H24N6O4 |
IUPAC Name |
[(2r,3s,5r)-3-hydroxy-5-[2-[(3-λ1-azanyl-2,7,8,9,10,12-hexahydro-1h-benzo[a]pyrene-1,2,7,8,9,10,12-heptaid-6-yl)amino]-6-oxo-3h-purine-1,7-diium-4-id-9-yl]tetrahydrofuran-2-yl]methanolate |
Molecular Mass |
532.549 g·mol−1 |
Heat of Formation |
-37.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
12.06 ± 1.08 D |
Volume |
584.57 Å 3 |
Surface Area |
491.48 Å 2 |
HOMO Energy |
-7.72 ± 0.55 eV |
LUMO Energy |
-1.26 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[(3-amino-6-benzo[b]pyrenyl)amino]-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-purin-6-one
- 2-[(3-aminobenzo[b]pyren-6-yl)amino]-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-purin-6-one
- 2-[(3-aminobenzo[b]pyren-6-yl)amino]-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
- 2-[(3-aminobenzo[b]pyren-6-yl)amino]-9-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-purin-6-one
- 6-(deoxyguanosin-n(2)-yl)-3-aminobenzo(a)pyrene
- 6-dg-nb(a)p
- guanosine, n-(3-aminobenzo(a)pyren-6-yl)-2'-deoxy-
- n-(3-aminobenzo(a)pyren-6-yl)-2'-deoxyguanosine
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CAS Number(s) |
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InChIKey |
SEXALPSLOUSOAV-YTFSRNRJSA-N |
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Links |
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DOI |
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Elements |
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