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(3S,4R,5R,6S)-1-N-(2-(1,3-Dihydroxypropyl))-3,4,5,6-tetrahydroxyazepane
SpectraBase Compound ID C6bTR1zeXZR
InChI InChI=1S/C9H19NO6/c11-3-5(4-12)10-1-6(13)8(15)9(16)7(14)2-10/h5-9,11-16H,1-4H2/t6-,7-,8+,9+/m0/s1
InChIKey YWRDGYWDFZAWAE-RBXMUDONSA-N
Mol Weight 237.25 g/mol
Molecular Formula C9H19NO6
Exact Mass 237.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mlJBAuNVzJ
Name (3S,4R,5R,6S)-1-N-(2-(1,3-Dihydroxypropyl))-3,4,5,6-tetrahydroxyazepane
Alternate Name(s) (3S,4R,5R,6S)-1-(1,3-dihydroxypropan-2-yl)azepane-3,4,5,6-tetrol (3S,4R,5R,6S)-1-[2-hydroxy-1-(hydroxymethyl)ethyl]azepane-3,4,5,6-tetrol (3S,4R,5R,6S)-1-[1,3-bis(oxidanyl)propan-2-yl]azepane-3,4,5,6-tetrol
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Formula C9H19NO6
InChI InChI=1S/C9H19NO6/c11-3-5(4-12)10-1-6(13)8(15)9(16)7(14)2-10/h5-9,11-16H,1-4H2/t6-,7-,8+,9+/m0/s1
InChIKey YWRDGYWDFZAWAE-RBXMUDONSA-N
Molecular Weight 237.252 g/mol
SMILES O[C@@]1([C@](CN(C(CO)CO)C[C@@]([C@]1(O)[H])(O)[H])(O)[H])[H]
SPLASH splash10-0a4r-0090000000-9d094f13f7f378e3112b
Source of Spectrum Y1-38-1319-5
Wiley ID 1527900