ChemSpider 2D Image | 1-S-[(1Z,4E)-5-(Methylsulfinyl)-N-(sulfooxy)-4-pentenimidoyl]-1-thio-beta-D-glucopyranose | C12H21NO10S3

1-S-[(1Z,4E)-5-(Methylsulfinyl)-N-(sulfooxy)-4-pentenimidoyl]-1-thio-β-D-glucopyranose

  • Molecular FormulaC12H21NO10S3
  • Average mass435.491 Da
  • Monoisotopic mass435.032745 Da
  • ChemSpider ID29273174

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1-S-[(1Z,4E)-5-(Methylsulfinyl)-N-(sulfooxy)-4-pentenimidoyl]-1-thio-β-D-glucopyranose [ACD/IUPAC Name]
1-S-[(1Z,4E)-5-(Methylsulfinyl)-N-(sulfooxy)-4-pentenimidoyl]-1-thio-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-S-[(1Z,4E)-5-(Méthylsulfinyl)-N-(sulfooxy)-4-pentenimidoyl]-1-thio-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-S-[(1Z,4E)-5-(methylsulfinyl)-1-[(sulfooxy)imino]-4-penten-1-yl]-1-thio- [ACD/Index Name]
28463-24-3 [RN]
4-(Methylsulfinyl)but-3-enylglucosinolate
4-Methylsufinyl-3-butenyl glucosinolate
glucoraphenin

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 91.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.29
ACD/LogD (pH 5.5): -4.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 236 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 83.1±7.0 dyne/cm
Molar Volume: 244.4±7.0 cm3

Click to predict properties on the Chemicalize site


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