Poly(2-aminodeoxyadenylate-5-iododeoxyuridylate)
Basic information
- CAS
104576-78-5- Standard SMILES
Nc1nc(N)c2ncn([C@H]3C[C@H](OP(=O)(O)OC[C@H]4O[C@@H](n5cc(I)c(=O)[nH]c5=O)C[C@@H]4O)[C@@H](COP(=O)(O)O)O3)c2n1- InChIKey
WJUYKRRVWABHPS-LSUSWQKBSA-N- Molecular formula
- C19H25IN8O13P2
- Average molar mass
- 762.3 g/mol
- Monoisotopic mass
- 762.0061
Overview
RN given in first source; RN not in Chemline 3/87
Names & identifiers
- Preferred name
- Poly(2-aminodeoxyadenylate-5-iododeoxyuridylate)
- IUPAC
- [(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- English name
- poly(2-aminodeoxyadenylate-5-iododeoxyuridylate)
- Molecular formula
- C19H25IN8O13P2
- Molecular weight
- 762.299592
Names & synonyms
104576-78-5DTXSID90146587DTXCID2069078Pada-5-iduRefChem:175062{(2R,3S,5R)-5-(2,6-Diamino-9H-purin-9-yl)-3-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methoxy}phosphoryl)oxy]oxolan-2-yl}methyl dihydrogen phosphatepoly(2-aminodeoxyadenylate-5-iododeoxyuridylate)
Database identifiers
- CAS
104576-78-5- PubChem CID
- 196381
- DTXSID
DTXSID90146587
Properties
Computed structural properties
- XLogP
- -4.2
- 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
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Compound notes
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