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1,6-Anhydro-4-[2-(1-pyrazolidinyl)ethylamino]-2-O-tosyl-4-deoxy-b-d-glucopyranose
SpectraBase Compound ID F2Ic74aE2Zl
InChI InChI=1S/C19H28N2O6S/c1-13-4-6-14(7-5-13)28(23,24)27-18-17(22)16(15-12-25-19(18)26-15)20-8-11-21-9-2-3-10-21/h4-7,15-20,22H,2-3,8-12H2,1H3
InChIKey CUXAYIUJZMSURG-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C19H28N2O6S
Exact Mass 412.166808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6KTWnz1fes
Name 1,6-Anhydro-4-[2-(1-pyrazolidinyl)ethylamino]-2-O-tosyl-4-deoxy-b-d-glucopyranose
Alternate Name(s) [3-hydroxy-2-(2-pyrrolidin-1-ylethylamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [3-hydroxy-2-[2-(1-pyrrolidinyl)ethylamino]-6,8-dioxabicyclo[3.2.1]octan-4-yl] ester [3-oxidanyl-2-(2-pyrrolidin-1-ylethylamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [3-hydroxy-2-(2-pyrrolidinoethylamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] ester
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28N2O6S
InChI InChI=1S/C19H28N2O6S/c1-13-4-6-14(7-5-13)28(23,24)27-18-17(22)16(15-12-25-19(18)26-15)20-8-11-21-9-2-3-10-21/h4-7,15-20,22H,2-3,8-12H2,1H3
InChIKey CUXAYIUJZMSURG-UHFFFAOYSA-N
Molecular Weight 412.501 g/mol
SMILES N(C1C(C(C2OC1CO2)OS(c1ccc(cc1)C)(=O)=O)O)CCN1CCCC1
SPLASH splash10-001i-9000000000-3f2f73bf1652e1306ce9
Wiley ID 1469769