ChemSpider 2D Image | [({(E)-[2-(1H-Indol-3-yl)-1-{[4,5,6-trihydroxy-3-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}ethylidene]amino}oxy)sulfonyl]oxidanide | C16H19N2O9S2

[({(E)-[2-(1H-Indol-3-yl)-1-{[4,5,6-trihydroxy-3-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}ethylidene]amino}oxy)sulfonyl]oxidanide

  • Molecular FormulaC16H19N2O9S2
  • Average mass447.461 Da
  • Monoisotopic mass447.053741 Da
  • ChemSpider ID24785359

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

[({(E)-[2-(1H-Indol-3-yl)-1-{[4,5,6-trihydroxy-3-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}ethyliden]amino}oxy)sulfonyl]oxidanid [German] [ACD/IUPAC Name]
[({(E)-[2-(1H-Indol-3-yl)-1-{[4,5,6-trihydroxy-3-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}ethylidene]amino}oxy)sulfonyl]oxidanide [ACD/IUPAC Name]
[({(E)-[2-(1H-Indol-3-yl)-1-{[4,5,6-trihydroxy-3-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]sulfanyl}éthylidène]amino}oxy)sulfonyl]oxydanide [French] [ACD/IUPAC Name]
3-indolymethyl glucosinolate*indolylmethyl glucosinolate*3-indolymethyl-glucosinolate*glucobrassicin
indolylmethyl-glucosinolate

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.48
ACD/LogD (pH 5.5): -3.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement