[[5-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[[5-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3f94fdf6a27444d5b4bafdee2e7722e1.png "[[5-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[[5-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
101515-08-6
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Formula:
C11H16LiN4O13P3
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Chemical Name:
[[5-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
7-Deaza-dGTP; 7-Deaza-2 inverted exclamation marka-deoxyguanosine 5 inverted exclamation marka-triphosphate lithium salt;
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CAS No:
[[5-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
512.12600
506.00049760
Computed Properties
Molecular Weight:506.19
XLogP3:-5.3
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:8
Exact Mass:506.00049760
Monoisotopic Mass:506.00049760
Topological Polar Surface Area:262
Heavy Atom Count:31
Complexity:894
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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