methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hexoxyphosphoryl]amino]-3-methylbutanoate
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methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hexoxyphosphoryl]amino]-3-methylbutanoate
structure -
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CAS No:
133201-21-5
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Formula:
C22H37N6O8P
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Chemical Name:
methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hexoxyphosphoryl]amino]-3-methylbutanoate
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Synonyms:
5'MeOValPO3(hexyl) AZT;3'-Azido-3'-deoxythymidine-5'-(hexyl methoxyvalinyl)phosphate;L-Valine, N-(3'-azido-3'-deoxy-P-hexyl-5'-thymidylyl)-, methyl ester, (R)-;133201-21-5;methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hexoxy-phosphoryl]amino]-3-methyl-butanoate
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CAS No:
methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hexoxyphosphoryl]amino]-3-methylbutanoate Basic Attributes
544.5 g/mol
544.24104916 g/mol
Computed Properties
Molecular Weight:544.5
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:16
Exact Mass:544.24104916
Monoisotopic Mass:544.24104916
Topological Polar Surface Area:147
Heavy Atom Count:37
Complexity:954
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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