ChemSpider 2D Image | glucolimnanthin | C15H21NO10S2

glucolimnanthin

  • Molecular FormulaC15H21NO10S2
  • Average mass439.458 Da
  • Monoisotopic mass439.060699 Da
  • ChemSpider ID23339909

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-S-[(1Z)-2-(3-Methoxyphenyl)-N-(sulfooxy)ethanimidoyl]-1-thio-β-D-glucopyranose [ACD/IUPAC Name]
1-S-[(1Z)-2-(3-Methoxyphenyl)-N-(sulfooxy)ethanimidoyl]-1-thio-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-S-[(1Z)-2-(3-Méthoxyphényl)-N-(sulfooxy)ethanimidoyl]-1-thio-β-D-glucopyranose [French] [ACD/IUPAC Name]
glucolimnanthin
β-D-Glucopyranose, 1-S-[(1Z)-2-(3-methoxyphenyl)-1-[(sulfooxy)imino]ethyl]-1-thio- [ACD/Index Name]
111810-95-8 [RN]
1-S-[2-(3-Methoxyphenyl)-N-(sulfooxy)ethanimidoyl]-1-thio-β-D-glucopyranose [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463456/
  • Miscellaneous

    • Chemical Class:

      An aralkylglucosinolic acid that consists of 1-thio-<stereo>beta</stereo>-<stereo>D</stereo>-glucopyranose attached to a (2-(3-methoxyphenyl)-<element>N</element>-(sulfooxy)ethanimidoyl group at the a nomeric sulfur. ChEBI CHEBI:79343
      An aralkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a (2-(3-methoxyphenyl)-N-(sulfooxy)ethanimidoyl group at the a; nomeric sulfur. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:79343
      An aralkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a (2-(3-methoxyphenyl)-N-(sulfooxy)ethanimidoyl group at the anomeric sulfur. ChEBI CHEBI:79343

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 95.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.93
ACD/LogD (pH 5.5): -3.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 68.6±7.0 dyne/cm
Molar Volume: 261.5±7.0 cm3

Click to predict properties on the Chemicalize site


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