(2R)-2-[[4-[[(1R,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]-3,4,5,6-tetrahydroxyhexanal
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![(2R)-2-[[4-[[(1R,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]-3,4,5,6-tetrahydroxyhexanal structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/77d0a719d5aa4ba4bce6b0439828bae3.png "(2R)-2-[[4-[[(1R,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]-3,4,5,6-tetrahydroxyhexanal")
(2R)-2-[[4-[[(1R,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]-3,4,5,6-tetrahydroxyhexanal
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CAS No:
129885-22-9
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Formula:
C27H39NO7
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Chemical Name:
(2R)-2-[[4-[[(1R,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]-3,4,5,6-tetrahydroxyhexanal
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Synonyms:
129885-22-9;DTXSID50926524;D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))-;2-Deoxy-2-({3,6-dioxo-4-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-1,4-dien-1-yl}amino)hexose
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CAS No:
(2R)-2-[[4-[[(1R,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]-3,4,5,6-tetrahydroxyhexanal Basic Attributes
489.6 g/mol
489.27265258 g/mol
Computed Properties
Molecular Weight:489.6
XLogP3:2.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:489.27265258
Monoisotopic Mass:489.27265258
Topological Polar Surface Area:144
Heavy Atom Count:35
Complexity:953
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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