[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
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![[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/cbbf3b0078e2406b90aca57724cf5a56.png "[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid")
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
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CAS No:
115991-80-5
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Formula:
C11H18N5O12P3
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Chemical Name:
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
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Synonyms:
Methylene-AzddTTP;115991-80-5;Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen ((hydroxy(phosphonooxy)phosphinyl)methyl)phosphonate);Thymidine, 3'-azido-3'-deoxy-, 5'-[hydrogen [[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate];3'-Azido-3'-deoxyadenosinealpha,beta-methylenetriphosphate;DTXSID30151251;3'-Azido-3'-deoxyadenosine.alpha.,.beta.-methylenetriphosphate;[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
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CAS No:
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid Basic Attributes
505.21 g/mol
505.01648202 g/mol
DTXSID30151251
Computed Properties
Molecular Weight:505.21
XLogP3:-3.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:9
Exact Mass:505.01648202
Monoisotopic Mass:505.01648202
Topological Polar Surface Area:224
Heavy Atom Count:31
Complexity:973
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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