ChemSpider 2D Image | 1-S-[(1E)-2-(1-Methoxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thiohexopyranose | C17H22N2O10S2

1-S-[(1E)-2-(1-Methoxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thiohexopyranose

  • Molecular FormulaC17H22N2O10S2
  • Average mass478.494 Da
  • Monoisotopic mass478.071594 Da
  • ChemSpider ID35014560

  • Double-bond stereo - Double-bond stereo

More details:

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

1-S-[(1E)-2-(1-Methoxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thiohexopyranose [German] [ACD/IUPAC Name]
1-S-[(1E)-2-(1-Methoxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thiohexopyranose [ACD/IUPAC Name]
1-S-[(1E)-2-(1-Méthoxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thiohexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 1-S-[(1E)-2-(1-methoxy-1H-indol-3-yl)-1-[(sulfooxy)imino]ethyl]-1-thio- [ACD/Index Name]
[(E)-[2-(1-methoxyindol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid
1-Methoxy-3-indolylmethyl glucosinolate
1-Methoxy-3-indolylmethylglucosinolate
1-methoxyindol-3-ylmethylglucosinolate
MIMG
neoglucobrassicin
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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: 1.695
Molar Refractivity: 106.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.81
ACD/LogD (pH 5.5): -3.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 74.1±7.0 dyne/cm
Molar Volume: 275.8±7.0 cm3

Click to predict properties on the Chemicalize site


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