| Formula |
C12H18N5O11P3 |
| IUPAC Name |
[[(1s,2s,4s,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-5-bicyclo[3.1.0]hexanyl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass |
501.220 g·mol−1 |
| Heat of Formation |
-2589.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.11 ± 1.08 D |
| Volume |
492.85 Å 3 |
| Surface Area |
397.81 Å 2 |
| HOMO Energy |
-9.05 ± 0.55 eV |
| LUMO Energy |
-1.78 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- [(1r,2s,4s,5s)-4-(6-amino-9-purinyl)-2-hydroxy-1-bicyclo[3.1.0]hexanyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
- [(1r,2s,4s,5s)-4-(6-aminopurin-9-yl)-2-hydroxy-1-bicyclo[3.1.0]hexanyl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
- n-mcdatp
- north-methanocarbaadenine triphosphate
|
| InChIKey |
ZDQTYRSOYYLILG-VXDIOVFMSA-N |
| QR Code |
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| Links |
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|
| DOI |
|
| Downloads |
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|
| Elements |
P
C
H
O
N
|
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