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1L-1,5-Diamino-1,5-dideoxy-allo-inositolehexaacetate
SpectraBase Compound ID Ct2TM3Uqmhe
InChI InChI=1S/C18H26N2O10/c1-7(21)19-13-15(27-9(3)23)14(20-8(2)22)17(29-11(5)25)18(30-12(6)26)16(13)28-10(4)24/h13-18H,1-6H3,(H,19,21)(H,20,22)/t13-,14-,15-,16-,17+,18-/m1/s1
InChIKey CZAFLARKCGGVDO-NKXHUJMZSA-N
Mol Weight 430.41 g/mol
Molecular Formula C18H26N2O10
Exact Mass 430.158745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAoYQz2aeYD
Name 1L-1,5-Diamino-1,5-dideoxy-allo-inositolehexaacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N2O10
InChI InChI=1S/C18H26N2O10/c1-7(21)19-13-15(27-9(3)23)14(20-8(2)22)17(29-11(5)25)18(30-12(6)26)16(13)28-10(4)24/h13-18H,1-6H3,(H,19,21)(H,20,22)/t13-,14-,15-,16-,17+,18-/m1/s1
InChIKey CZAFLARKCGGVDO-NKXHUJMZSA-N
Molecular Weight 430.410 g/mol
SMILES N([C@@]1([C@]([C@]([C@@]([C@@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(NC(=O)C)[H])(OC(=O)C)[H])[H])C(=O)C
SPLASH splash10-052f-9060000000-7cf3bb7719191cbd878a
Source of Spectrum QC-1-414-23
Wiley ID 882798