ChemSpider 2D Image | [({(Z)-[2-(4-Methoxy-1H-indol-3-yl)-1-{[4,5,6-trihydroxy-3-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}ethylidene]amino}oxy)sulfonyl]oxidanide | C17H21N2O10S2

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

  • Molecular FormulaC17H21N2O10S2
  • Average mass477.487 Da
  • Monoisotopic mass477.064301 Da
  • ChemSpider ID24785292

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

[({(Z)-[2-(4-Methoxy-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]
[({(Z)-[2-(4-Methoxy-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]
[({(Z)-[2-(4-Méthoxy-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]
4-methoxy-3-indolylmethyl-glucosinolate
4-methoxyindol-3-ylmethylglucosinolate*4-methyoxyglucobrassicin

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: 12
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -3.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability:
Surface Tension:
Molar Volume:

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