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(3S,4R,5R,6S)-1-N-(2-Hydroxyethyl)-3,4,5,6-tetrahydroxyazepane
SpectraBase Compound ID EvQsTrZqYmN
InChI InChI=1S/C8H17NO5/c10-2-1-9-3-5(11)7(13)8(14)6(12)4-9/h5-8,10-14H,1-4H2/t5-,6-,7+,8+/m0/s1
InChIKey VWGJHYNWDXVPIU-RULNZFCNSA-N
Mol Weight 207.23 g/mol
Molecular Formula C8H17NO5
Exact Mass 207.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oC2m7i5CO4
Name (3S,4R,5R,6S)-1-N-(2-Hydroxyethyl)-3,4,5,6-tetrahydroxyazepane
Alternate Name(s) (3S,4R,5R,6S)-1-(2-hydroxyethyl)hexahydro-1H-azepine-3,4,5,6-tetrol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H17NO5
InChI InChI=1S/C8H17NO5/c10-2-1-9-3-5(11)7(13)8(14)6(12)4-9/h5-8,10-14H,1-4H2/t5-,6-,7+,8+/m0/s1
InChIKey VWGJHYNWDXVPIU-RULNZFCNSA-N
Molecular Weight 207.226 g/mol
SMILES O[C@@]1([C@]([C@@]([C@](CN(C1)CCO)(O)[H])(O)[H])(O)[H])[H]
SPLASH splash10-056u-0920000000-a5ccdeae7a8d58a7f5c7
Source of Spectrum Y1-38-1319-5
Wiley ID 1527907