[hydroxy-[3-oxo-2-[2-oxo-1-(6-oxo-3H-purin-9-yl)ethoxy]propoxy]phosphoryl] phosphono hydrogen phosphate
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![[hydroxy-[3-oxo-2-[2-oxo-1-(6-oxo-3H-purin-9-yl)ethoxy]propoxy]phosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/51843ff84cb94c42a35aa186b9099541.png "[hydroxy-[3-oxo-2-[2-oxo-1-(6-oxo-3H-purin-9-yl)ethoxy]propoxy]phosphoryl] phosphono hydrogen phosphate")
[hydroxy-[3-oxo-2-[2-oxo-1-(6-oxo-3H-purin-9-yl)ethoxy]propoxy]phosphoryl] phosphono hydrogen phosphate
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CAS No:
105208-87-5
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Formula:
C10H12N4NaO14P3
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Chemical Name:
[hydroxy-[3-oxo-2-[2-oxo-1-(6-oxo-3H-purin-9-yl)ethoxy]propoxy]phosphoryl] phosphono hydrogen phosphate
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Synonyms:
Inosine 5 inverted exclamation marka-triphosphate,periodate oxidized sodium salt; Inosine 5'-triphosphate,periodate oxidized sodium salt; Inosine 5'-triphosphate-2',3'-dialdehyde; Inosine 5 inverted exclamation marka-triphosphate-2 inverted exclamation marka,3 inverted exclamation marka-dialdehyde;
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CAS No:
[hydroxy-[3-oxo-2-[2-oxo-1-(6-oxo-3H-purin-9-yl)ethoxy]propoxy]phosphoryl] phosphono hydrogen phosphate Basic Attributes
528.13200
505.96411209
DTXSID00402681
Computed Properties
Molecular Weight:506.15
XLogP3:-5.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:12
Exact Mass:505.96411209
Monoisotopic Mass:505.96411209
Topological Polar Surface Area:263
Heavy Atom Count:31
Complexity:876
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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