2,3-dihydroxypropyl [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] hydrogen phosphate
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![2,3-dihydroxypropyl [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/27f95cccda0d4251b52f2743d6fc0d3c.png "2,3-dihydroxypropyl [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] hydrogen phosphate")
2,3-dihydroxypropyl [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] hydrogen phosphate
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CAS No:
125638-70-2
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Formula:
C9H20O14P2
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Chemical Name:
2,3-dihydroxypropyl [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] hydrogen phosphate
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Synonyms:
alpha-glycerophosphoinositol 4-phosphate;glycero-3-phosphoinositol 4-phosphate;glycerophosphoinositol 4-phosphate;Gro-PIP;125638-70-2;Gro-pip;alpha-Glycerophosphoinositol 4-phosphate;glycero-3-Phosphoinositol 4-phosphate;DTXSID70925195;Glycerophosphoinositol 4-phosphate;2,3-dihydroxypropyl [(2S,3S,5R,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] hydrogen phosphate;myo-Inositol, 4-(dihydrogen phosphate) 1-(2,3-dihydroxypropyl hydrogen phosphate);4-{[(2,3-Dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2,3,5,6-tetrahydroxycyclohexyl dihydrogen phosphate
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CAS No:
2,3-dihydroxypropyl [(2S,3R,5S,6S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] hydrogen phosphate Basic Attributes
414.19 g/mol
414.03282930 g/mol
Computed Properties
Molecular Weight:414.19
XLogP3:-6.7
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:8
Exact Mass:414.03282930
Monoisotopic Mass:414.03282930
Topological Polar Surface Area:244
Heavy Atom Count:25
Complexity:506
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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