Basic information
- CAS
141096-03-9- Standard SMILES
[N-]=[N+]=Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)([O-])O)[C@H]2OC3(CC([N+](=O)[O-])=C([N+](=O)[O-])C=C3[N+](=O)[O-])O[C@H]21- InChIKey
WYMVSLKONRLTSR-DXXSKVHTSA-M- Molecular formula
- C16H13N11O13P-
- Average molar mass
- 598.3 g/mol
- Monoisotopic mass
- 598.04319151
Names & identifiers
- Preferred name
- 2',3'-O-(2,4,6-Trinitrophenyl)-8-azido-amp
- IUPAC
- [(3aR,4R,6R,6aR)-4-(6-amino-8-azidopurin-9-yl)-1',2',4'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,5'-cyclohexa-1,3-diene]-6-yl]methyl hydrogen phosphate
- English name
- 2',3'-O-(2,4,6-trinitrophenyl)-8-azido-AMP
- Molecular formula
- C16H13N11O13P-
- Molecular weight
- 598.314081
Names & synonyms
Tnp-8-azido-amp141096-03-92',3'-O-(2,4,6-Trinitrophenyl)-8-azido-ampRefChem:800718-Azido-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-5'-adenylic acid ion(1-)5'-Adenylic acid, 8-azido-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-, ion(1-)DTXSID70930986[(3aR,4R,6R,6aR)-4-(6-amino-8-azidopurin-9-yl)-1',2',4'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,5'-cyclohexa-1,3-diene]-6-yl]methyl hydrogen phosphate8-Azido-5'-O-(hydroxyphosphinato)-2',3'-O-(2,4,5-trinitrocyclohexa-2,4-diene-1,1-diyl)adenosine8-Azido-9-[5-O-(hydroxyphosphinato)-2,3-O-(2,4,5-trinitrocyclohexa-2,4-diene-1,1-diyl)pentofuranosyl]-9H-purin-6-amine
Database identifiers
- CAS
141096-03-9- PubChem CID
- 3083331
- DTXSID
DTXSID70930986
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 319 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- -1
- Complexity
- 1,300
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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