![Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv. structure](/static/products/979/97902-38-0.png)
Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv.
[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl hydrogen phosphate
Also Known As: 2',3'-O-Picryladenosine 5'-phosphate ion(1-)|2'-O-(2,4,6-Trinitrophenyl)-5'-adenylic acid|3'-O-(2,4,6-Trinitrophenyl)-5'-adenylic acid|Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv.|2'(or 3')-O-(2,4,6-Trinitrophenyl)-5'-adenylic acid|2',3'-O-(2,4,6-Trinitro-2,4-cyclohexadien-1-ylidene)-5'-adenylic acid|5'-O-(Hydroxyphosphinato)-2',3'-O-(2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl)adenosine|[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl hydrogen phosphate|5'-Adenylic acid, 2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-, ion(1-) (9CI)|adenosine, 2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-, 5'-(dihydrogen phosphate), ion(1-)
| Molecular Formula | C16H14N8O13P- |
|---|---|
| Molecular Weight | 557.0418 g/mol |
| LogP | -1.7564 |
| Topological Polar Surface Area | 296.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 557.0418 |
| Monoisotopic Mass | 557.0418 |
| Heavy Atoms | 38 |
| Complexity | 1470.3561 |
Chemical Identifiers
| CAS Number | 97902-38-0 |
|---|---|
| SMILES | C1=C(C=C(C2(C1[N+](=O)[O-])O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Spiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole], 5'-adenylic acid deriv. (CAS 97902-38-0), with molecular formula C16H14N8O13P- and molecular weight 557.0418 g/mol. IUPAC: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl hydrogen phosphate.
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