Formula |
C16H19N9O7P2 |
IUPAC Name |
[(2r,3r,5s)-2-(6-aminopurine-1,3,7-triium-9-yl)-5-[[4,5-dihydroimidazol-1-ium-4,5-diylium-1-yl(hydroxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-(4h-imidazol-1-ium-4-id-3-yl)phosphinic acid |
Molecular Mass |
511.326 g·mol−1 |
Heat of Formation |
-1195.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.48 ± 1.08 D |
Volume |
531.23 Å 3 |
Surface Area |
439.38 Å 2 |
HOMO Energy |
-9.05 ± 0.55 eV |
LUMO Energy |
-0.73 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3'-deoxyadenosine-2',5'-diphosphoimidazolide
- [(2r,3r,5s)-2-(6-amino-9-purinyl)-5-[(hydroxy-(1-imidazolyl)phosphoryl)oxymethyl]-3-tetrahydrofuranyl]oxy-(1-imidazolyl)phosphinic acid
- [(2r,3r,5s)-2-(6-aminopurin-9-yl)-5-[(hydroxy-imidazol-1-yl-phosphoryl)oxymethyl]oxolan-3-yl]oxy-imidazol-1-yl-phosphinic acid
- [(2r,3r,5s)-2-(6-aminopurin-9-yl)-5-[(hydroxy-imidazol-1-yl-phosphoryl)oxymethyl]tetrahydrofuran-3-yl]oxy-imidazol-1-yl-phosphinic acid
- [(2r,3r,5s)-2-(6-aminopurin-9-yl)-5-[(hydroxy-imidazol-1-ylphosphoryl)oxymethyl]oxolan-3-yl]oxy-imidazol-1-ylphosphinic acid
- impd(3')apim
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CAS Number(s) |
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InChIKey |
PLHILTSIFNHEGX-HWWQOWPSSA-N |
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Elements |
H
C
P
O
N
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