dATP
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dATP
structure -
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CAS No:
1927-31-7
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Formula:
C10H16N5O12P3
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Chemical Name:
dATP
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Synonyms:
Adenosine 5′-(tetrahydrogen triphosphate),2′-deoxy-;Adenosine,2′-deoxy-,5′-(tetrahydrogen triphosphate);Adenosine,2′-deoxy-,5′-triphosphate;2′-Deoxyadenosine 5′-(tetrahydrogen triphosphate);2′-Deoxyadenosine 5′-triphosphate;dATP;Deoxyadenosine 5′-triphosphate;Deoxy-ATP;2′-Deoxy-ATP;Deoxyadenosine triphosphate;2′-Deoxyadenosine triphosphate;5′-DATP;2′-Deoxy-5′-ATP;1294552-42-3
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CAS No:
Description
White amorphous powder
Solid
DATP is a purine 2'-deoxyribonucleoside 5'-triphosphate having adenine as the nucleobase. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a purine 2'-deoxyribonucleoside 5'-triphosphate and a 2'-deoxyadenosine 5'-phosphate. It is a conjugate acid of a dATP(3-).
Characteristics
321.68000
-4.93
colorless Powder
2.51±0.1 g/cm3(Predicted)
913.3±75.0 °C(Predicted)
506.1±37.1 °C
1.874
−20°C
183.78 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|194.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|202 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|186.5 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|185.9 Ų [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Computed Properties
Molecular Weight:491.18
XLogP3:-4.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:8
Exact Mass:491.00083196
Monoisotopic Mass:491.00083196
Topological Polar Surface Area:259
Heavy Atom Count:30
Complexity:769
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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