Basic information
- CAS
26966-61-0- Standard SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
YRITVODHCMDVSY-BBZRCZKMSA-N- Molecular formula
- C20H27N7O13P2
- Average molar mass
- 635.4 g/mol
- Monoisotopic mass
- 635.11420794
Overview
Polydeoxyribonucleotides made up of deoxyadenine nucleotides and thymine nucleotides. Present in DNA preparations isolated from crab species. Synthetic preparations have been used extensively in the study of DNA.
Names & identifiers
- Preferred name
- Poly dA-dT
- IUPAC
- [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- English name
- Poly dA-dT
- Molecular formula
- C20H27N7O13P2
- Molecular weight
- 635.415002
Names & synonyms
26966-61-0DTXSID60181465DTXCID70103956RefChem:175052SCHEMBL29362454{(2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methoxy}phosphoryl)oxy]oxolan-2-yl}methyl dihydrogen phosphate
Database identifiers
- CAS
26966-61-0- PubChem CID
- 33656
- DTXSID
DTXSID60181465- Nikkaji
- J2.258.742K
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 280 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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