4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP
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Basic information
- CAS
177592-87-9- Standard SMILES
COc1cc(COP2(=O)OC[C@H]3O[C@@H](n4c(Br)nc5c(N)ncnc54)[C@H](O)[C@@H]3O2)c([N+](=O)[O-])cc1OC- InChIKey
DNPINJJWFMWFRD-KUUOUUIGSA-N- Molecular formula
- C19H20BrN6O10P
- Average molar mass
- 603.3 g/mol
- Monoisotopic mass
- 602.01619
Overview
RN refers to (S)-isomer; structure in first source
Names & identifiers
- Preferred name
- 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP
- IUPAC
- (4aR,6R,7R,7aS)-6-(6-amino-8-bromopurin-9-yl)-2-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
- English name
- 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP
- Molecular formula
- C19H20BrN6O10P
- Molecular weight
- 603.274061
Names & synonyms
Caged 8-Br-camp177592-87-94,5-Dimethoxy-2-nitrobenzyl-8-bromo-campRefChem:96519DTXSID50938965(4aR,6R,7R,7aS)-6-(6-Amino-8-bromo-9H-purin-9-yl)-2-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-7-hydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one6-(6-Amino-8-bromo-9H-purin-9-yl)-2-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-7-hydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
Database identifiers
- CAS
177592-87-9- PubChem CID
- 188941
- DTXSID
DTXSID50938965- Nikkaji
- J749.960D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 891
Related reactions
0 records
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Compound notes
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