[[(2R,3S,4R,5R)-5-(3,5,7,8,9,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[[(2R,3S,4R,5R)-5-(3,5,7,8,9,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d5bc6526c72347a790ecba67b31ca3b4.png "[[(2R,3S,4R,5R)-5-(3,5,7,8,9,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[[(2R,3S,4R,5R)-5-(3,5,7,8,9,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
50663-89-3
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Formula:
C11H15N6O13P3
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Chemical Name:
[[(2R,3S,4R,5R)-5-(3,5,7,8,9,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
1,N(6)-etheno-2-aza-adenosine triphosphate;2-aza-1,N6-etheno ATP;2-aza-1,N6-etheno-adenosine triphosphate;aza-epsilon-ATP;50663-89-3;Aza-epsilon-ATP;2-Aza-1,N6-etheno ATP;2-Aza-1,N6-etheno-adenosine triphosphate;Aza-ATP;1,N(6)-Etheno-2-aza-adenosine triphosphate;DTXSID10964902;[[(2R,3S,4R,5R)-5-(diimidazo[3,4-d:1',3'-e]triazin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;3-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3H-diimidazo[1,2-c:4',5'-e][1,2,3]triazine;3H-Diimidazo(1,2-c:4',5'-e)(1,2,3)triazine, 3-(5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-ribofuranosyl)-;90-91-5
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CAS No:
[[(2R,3S,4R,5R)-5-(3,5,7,8,9,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,7,10-pentaen-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
532.19 g/mol
531.99099555 g/mol
Computed Properties
Molecular Weight:532.19
XLogP3:-5.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:8
Exact Mass:531.99099555
Monoisotopic Mass:531.99099555
Topological Polar Surface Area:270
Heavy Atom Count:33
Complexity:879
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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