Basic information
- CAS
67460-15-5- Standard SMILES
Nc1ncnc2c1ccn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1- InChIKey
AZJLCKAEZFNJDI-DJLDLDEBSA-N- Molecular formula
- C11H17N4O12P3
- Average molar mass
- 490.19 g/mol
- Monoisotopic mass
- 490.00558298
Names & identifiers
- Preferred name
- 2'-Deoxytubercidin-5'-triphosphate
- IUPAC
- [[(2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- English name
- 2'-deoxytubercidin-5'-triphosphate
- Molecular formula
- C11H17N4O12P3
- Molecular weight
- 490.19
Names & synonyms
C7-Adtp67460-15-52'-Deoxytubercidin-5'-triphosphate7-Deaza-2'-deoxyadenosine triphosphate7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 7-(2-deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-erythro-pentofuranosyl)-RefChem:80316[[(2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphateorb65334orb1734114SCHEMBL26031206SCHEMBL29487848DTXSID60986730
Show more names
2'd-7-CH-ATP7-Deaza-dATP，Sodium solution7-Deaza-2'-deoxyadenosine-5'-triphosphate, Sodium salt7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-erythro-pentofuranosyl]-
((2R,3S,5R)-5-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphateDA-69777PD1985717-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine7-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 246 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 768
Physicochemical properties
- Boiling point
- 891.8 · 891.8±75.0 °C(Predicted)
- Density
- 2.37 · 2.37±0.1 g/cm3(Predicted)
- pka
- 0.8 · 0.80±0.50(Predicted)
Chemistry & industry
Applications
Uses2'-Deoxytubercidin 5'-triphosphate(C7dATP) is a deoxyadenosine triphosphate (dATP) analog, which can reduce the electrophoretic mobility abnormality caused by the compression of G or A residues, and is used to improve the quality of DNA sequencing data[1].
Suppliers5 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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