Formula |
C18H22N6O10P2 |
IUPAC Name |
[(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-(methylamino)benzoate |
Molecular Mass |
544.349 g·mol−1 |
Heat of Formation |
-2066.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.06 ± 1.08 D |
Volume |
564.04 Å 3 |
Surface Area |
471.32 Å 2 |
HOMO Energy |
-8.57 ± 0.55 eV |
LUMO Energy |
-1.38 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2'(3')-o-n-methylanthraniloyl-adenosine-5'-diphosphate
- 2-methylaminobenzoic acid [(2r,3s,5r)-5-(6-amino-9-purinyl)-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]-3-tetrahydrofuranyl] ester
- 2-methylaminobenzoic acid [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] ester
- [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]oxolan-3-yl] 2-methylaminobenzoate
- [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] 2-methylaminobenzoate
- mant-adp
- mnt
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InChIKey |
QPKUEBLEGWBRHC-BFHYXJOUSA-N |
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Elements |
P
C
H
O
N
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