[(1R,2R,3R,4R,5S,6R)-2-amino-3,5-dihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
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![[(1R,2R,3R,4R,5S,6R)-2-amino-3,5-dihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3907777efbd84157b3a41421e066c02b.png "[(1R,2R,3R,4R,5S,6R)-2-amino-3,5-dihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate")
[(1R,2R,3R,4R,5S,6R)-2-amino-3,5-dihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
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CAS No:
153212-81-8
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Formula:
C6H16NO14P3
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Chemical Name:
[(1R,2R,3R,4R,5S,6R)-2-amino-3,5-dihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
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Synonyms:
3-amino-3-deoxy-Ins(1,4,5)P3;3-amino-3-deoxy-myo-inositol 1,4,5-trisphosphate;153212-81-8;3-Amino-3-deoxy-ins(1,4,5)P3;DTXSID70934702;3-Amino-3-deoxy-myo-inositol 1,4,5-trisphosphate;6-Amino-3,5-dihydroxycyclohexane-1,2,4-triyl tris[dihydrogen (phosphate)];D-myo-Inositol, 3-amino-3-deoxy-, 1,4,5-tris(dihydrogen phosphate)
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CAS No:
[(1R,2R,3R,4R,5S,6R)-2-amino-3,5-dihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate Basic Attributes
419.11 g/mol
418.97836518 g/mol
Computed Properties
Molecular Weight:419.11
XLogP3:-9.5
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:6
Exact Mass:418.97836518
Monoisotopic Mass:418.97836518
Topological Polar Surface Area:267
Heavy Atom Count:24
Complexity:579
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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