[(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
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![[(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a7bf872b57e748c6821bbec763c0532a.png "[(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate")
[(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
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CAS No:
39950-81-7
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Formula:
C17H28N2O14P2
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Chemical Name:
[(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
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Synonyms:
thymidinediphosphomycarose;dTDP-L-mycarose;dTDP-2,6-dideoxy-3-C-methyl-L-ribo-hexose;Thymidinediphosphomycarose;thymidine 5'-[3-(2,6-dideoxy-3-C-methyl-L-ribo-hexopyranosyl) dihydrogen diphosphate];CHEBI:27801;39950-81-7;Q27103342;Thymidine 5'-(trihydrogen diphosphate), mono(2,6-dideoxy-3-C-methyl-L-ribo-hexopyranosyl) ester
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CAS No:
[(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate Basic Attributes
546.4 g/mol
546.10157757 g/mol
Computed Properties
Molecular Weight:546.4
XLogP3:-3.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:8
Exact Mass:546.10157757
Monoisotopic Mass:546.10157757
Topological Polar Surface Area:231
Heavy Atom Count:35
Complexity:976
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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