Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate)
Basic information
- CAS
104576-80-9- Standard SMILES
Nc1nc(N)c2ncn([C@H]3C[C@H](OP(=O)(O)OC[C@H]4O[C@@H](n5cc(Br)c(=O)[nH]c5=O)C[C@@H]4O)[C@@H](COP(=O)(O)O)O3)c2n1- InChIKey
CVMVPEWQQYHVAR-LSUSWQKBSA-N- Molecular formula
- C19H25BrN8O13P2
- Average molar mass
- 715.3 g/mol
- Monoisotopic mass
- 714.01997
Overview
RN given in first source; RN not in Chemline 3/87
Names & identifiers
- Preferred name
- Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate)
- IUPAC
- [(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
- English name
- poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate)
- Molecular formula
- (C19H25BrN8O13P2)x
- Molecular weight
- 715.3
Names & synonyms
104576-80-9DTXSID50146588DTXCID7069079Pada-5-bduRefChem:175061[(2R,3S,5R)-3-{[{[(2R,3S,5R)-5-(5-Bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(2,6-diamino-9H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphatepoly(2-aminodeoxyadenylate-5-bromodeoxyuridylate)
Database identifiers
- CAS
104576-80-9- PubChem CID
- 196382
- DTXSID
DTXSID50146588
Properties
Computed structural properties
- XLogP
- -4
- Topological polar surface area
- 306 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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