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1-(6'-O-p-Toluenesulfonyl-3'-deoxy-1',2-O-isopropylidene-.alpha.,D-glucofuranos-3'-yl)-1,2,4-triazole

View entire compound with spectra: 1 MS (GC)

1-(6'-O-p-Toluenesulfonyl-3'-deoxy-1',2-O-isopropylidene-.alpha.,D-glucofuranos-3'-yl)-1,2,4-triazole
SpectraBase Compound ID 9GoEm5xEJlk
InChI InChI=1S/C18H23N3O7S/c1-11-4-6-12(7-5-11)29(23,24)25-8-13(22)15-14(21-10-19-9-20-21)16-17(26-15)28-18(2,3)27-16/h4-7,9-10,13-17,22H,8H2,1-3H3/t13-,14+,15-,16-,17-/m1/s1
InChIKey BOHWTUFKZMHZIV-ZHCJQAHYSA-N
Mol Weight 425.46 g/mol
Molecular Formula C18H23N3O7S
Exact Mass 425.125671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zTgoDVEXz7
Name 1-(6'-O-p-Toluenesulfonyl-3'-deoxy-1',2-O-isopropylidene-.alpha.,D-glucofuranos-3'-yl)-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N3O7S
InChI InChI=1S/C18H23N3O7S/c1-11-4-6-12(7-5-11)29(23,24)25-8-13(22)15-14(21-10-19-9-20-21)16-17(26-15)28-18(2,3)27-16/h4-7,9-10,13-17,22H,8H2,1-3H3/t13-,14+,15-,16-,17-/m1/s1
InChIKey BOHWTUFKZMHZIV-ZHCJQAHYSA-N
Molecular Weight 425.456 g/mol
SMILES O[C@@]([C@@]1([C@@]([C@@]2([C@](O1)(OC(O2)(C)C)[H])[H])([n]1ncnc1)[H])[H])(COS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-014i-1910000000-2dd951657a8615030c0b
Source of Spectrum F-55-10521-28
Synonyms 3-deoxy-1,2-O-(1-methylethylidene)-6-O-[(4-methylphenyl)sulfonyl]-3-(1H-1,2,4-triazol-1-yl)-.alpha.-D-glucofuranose 4-Methylbenzenesulfonic acid[(2R)-2-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-(1,2,4-triazol-1-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxy-ethyl]ester Toluene-4-sulfonic acid (R)-2-((3aR,5S,6S,6aR)-2,2-dimethyl-6-[1,2,4]triazol-1-yl-tetrahydro-furo[2,3-d][1,3]dioxol-5-yl)-2-hydroxy-ethyl ester [(2R)-2-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-(1,2,4-triazol-1-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxy-ethyl]4-methylbenzenesulfonate [(2R)-2-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-(1,2,4-triazol-1-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-oxidanyl-ethyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(2R)-2-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-(1,2,4-triazol-1-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl] ester [(2R)-2-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-(1,2,4-triazol-1-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate [(2R)-2-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-(1,2,4-triazol-1-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxy-ethyl] 4-methylbenzenesulfonate [(2R)-2-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-(1,2,4-triazol-1-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-oxidanyl-ethyl] 4-methylbenzenesulfonate
Wiley ID 839002