[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-pyren-1-ylbutyl hydrogen phosphate
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![[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-pyren-1-ylbutyl hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/87992ba55d3746af83ba7e7d6c6474e2.png "[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-pyren-1-ylbutyl hydrogen phosphate")
[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-pyren-1-ylbutyl hydrogen phosphate
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CAS No:
139143-25-2
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Formula:
C26H29O9P
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Chemical Name:
[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-pyren-1-ylbutyl hydrogen phosphate
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Synonyms:
4-(1-pyreno)butylphosphorylinositol;pyrene-PI;rac-4-(1-pyreno)butylphosphoryl-1-myo-inositol;Pyrene-PI;139143-25-2;4-(1-Pyreno)butylphosphorylinositol;rac-4-(1-Pyreno)butylphosphoryl-1-myo-inositol;DTXSID20930370;DL-myo-Inositol, 1-(4-(1-pyrenyl)butyl hydrogen phosphate);2,3,4,5,6-Pentahydroxycyclohexyl 4-(pyren-1-yl)butyl hydrogen phosphate;[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-pyren-1-ylbutyl hydrogen phosphate
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CAS No:
[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 4-pyren-1-ylbutyl hydrogen phosphate Basic Attributes
516.5 g/mol
516.15491950 g/mol
Computed Properties
Molecular Weight:516.5
XLogP3:1.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:516.15491950
Monoisotopic Mass:516.15491950
Topological Polar Surface Area:157
Heavy Atom Count:36
Complexity:781
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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