ChemSpider 2D Image | N-{[(E)-(3-Bromobenzyl)diazenyl]carbonothioyl}-beta-D-glucopyranosylamine | C14H18BrN3O5S

N-{[(E)-(3-Bromobenzyl)diazenyl]carbonothioyl}-β-D-glucopyranosylamine

  • Molecular FormulaC14H18BrN3O5S
  • Average mass420.279 Da
  • Monoisotopic mass419.015045 Da
  • ChemSpider ID61714308

  • 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

N-{[(E)-(3-Brombenzyl)diazenyl](sulfanyl)methylen}-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-{[(E)-(3-Brombenzyl)diazenyl]carbonothioyl}-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-{[(E)-(3-Bromobenzyl)diazenyl](sulfanyl)methylene}-β-D-glucopyranosylamine [ACD/IUPAC Name]
N-{[(E)-(3-Bromobenzyl)diazényl](sulfanyl)méthylène}-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
N-{[(E)-(3-Bromobenzyl)diazenyl]carbonothioyl}-β-D-glucopyranosylamine [ACD/IUPAC Name]
N-{[(E)-(3-Bromobenzyl)diazényl]carbonothioyl}-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
β-D-Glucopyranosylamine, N-[[(E)-2-[(3-bromophenyl)methyl]diazenyl]mercaptomethylene]- [ACD/Index Name]
β-D-Glucopyranosylamine, N-[[(E)-2-[(3-bromophenyl)methyl]diazenyl]thioxomethyl]- [ACD/Index Name]
22O
N-({(2e)-2-[(3-Bromophenyl)methylidene]hydrazino}carbonothioyl)-β-D-Glucopyranosylamine

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

Density: 1.8±0.1 g/cm3
Boiling Point: 601.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 317.4±34.3 °C
Index of Refraction: 1.712
Molar Refractivity: 90.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 166 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 65.1±7.0 dyne/cm
Molar Volume: 232.0±7.0 cm3

Click to predict properties on the Chemicalize site


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