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L-manno-Nonitol, 7-amino-1,2,3,4,6,7,8,9-octadeoxy-6,9-epithio-8-[(methoxycarbonyl)amino]-
SpectraBase Compound ID Fww9SJRGDNP
InChI InChI=1S/C11H22N2O3S/c1-3-4-5-8(14)10-9(12)7(6-17-10)13-11(15)16-2/h7-10,14H,3-6,12H2,1-2H3,(H,13,15)/t7-,8?,9-,10-/m1/s1
InChIKey DGQSOCNNNUFFLF-GHBZHPFISA-N
Mol Weight 262.37 g/mol
Molecular Formula C11H22N2O3S
Exact Mass 262.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANGjIDKSpky
Name L-manno-Nonitol, 7-amino-1,2,3,4,6,7,8,9-octadeoxy-6,9-epithio-8-[(methoxycarbonyl)amino]-
Alternate Name(s) 7-amino-6,9-anhydro-1,2,3,4,7,8-hexadeoxy-8-[(methoxycarbonyl)amino]-6-thio-D-gluco-nonitol [2R-[2.alpha.(S*),3.alpha.,4.alpha.)]-.alpha.-butyltetrahydro-4-[(methoxycarbonyl)amino]-3-amino-2-thiophenemethanol N-[(3S,4R,5S)-4-amino-5-(1-hydroxypentyl)-3-thiolanyl]carbamic acid methyl ester methyl N-[(3S,4R,5S)-4-amino-5-(1-hydroxypentyl)thiolan-3-yl]carbamate methyl N-[(3S,4R,5S)-4-amino-5-(1-hydroxypentyl)tetrahydrothiophen-3-yl]carbamate methyl N-[(3S,4R,5S)-4-azanyl-5-(1-oxidanylpentyl)thiolan-3-yl]carbamate
CAS Registry Number 76176-77-7
Comments Less than 3 mono-isotopic peaks
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Formula C11H22N2O3S
InChI InChI=1S/C11H22N2O3S/c1-3-4-5-8(14)10-9(12)7(6-17-10)13-11(15)16-2/h7-10,14H,3-6,12H2,1-2H3,(H,13,15)/t7-,8?,9-,10-/m1/s1
InChIKey DGQSOCNNNUFFLF-GHBZHPFISA-N
Molecular Weight 262.368 g/mol
SMILES N[C@@]1([C@@](CS[C@@]1(C(O)CCCC)[H])(NC(=O)OC)[H])[H]
SPLASH splash10-004i-9100000000-a777b8d71fc2a978feb0
Source of Spectrum F-43-4899-13
Wiley ID 1265355