[[(2S,5R)-5-(4-aminoindol-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[[(2S,5R)-5-(4-aminoindol-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/86fd9bf43e8d43caa45e7d20385c939c.png "[[(2S,5R)-5-(4-aminoindol-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[[(2S,5R)-5-(4-aminoindol-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
132062-43-2
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Formula:
C13H19N2O11P3
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Chemical Name:
[[(2S,5R)-5-(4-aminoindol-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
1,3,7-Trideaza-ddATP;1,3,7-Trideaza-2',3'-dideoxy-5'-triphosphateadenosine;132062-43-2;Triphosphoric acid, P-((5-(4-amino-1H-indol-1-yl)tetrahydro-2-furanyl)methyl) ester, (2S-cis)-;Triphosphoric acid, P-[[5-(4-amino-1H-indol-1-yl)tetrahydro-2-furanyl]methyl] ester, (2S-cis)-;DTXSID70157333;[[(2S,5R)-5-(4-aminoindol-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
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CAS No:
[[(2S,5R)-5-(4-aminoindol-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
472.22 g/mol
472.02017042 g/mol
DTXSID70157333
Computed Properties
Molecular Weight:472.22
XLogP3:-2.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:472.02017042
Monoisotopic Mass:472.02017042
Topological Polar Surface Area:200
Heavy Atom Count:29
Complexity:733
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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