ChemSpider 2D Image | Methyl 3-O-({1-[(1S)-1-carboxy-2-(1H-indol-2-yl)ethyl]-1H-1,2,3-triazol-4-yl}methyl)-alpha-D-galactopyranoside | C21H26N4O8

Methyl 3-O-({1-[(1S)-1-carboxy-2-(1H-indol-2-yl)ethyl]-1H-1,2,3-triazol-4-yl}methyl)-α-D-galactopyranoside

  • Molecular FormulaC21H26N4O8
  • Average mass462.453 Da
  • Monoisotopic mass462.175049 Da
  • ChemSpider ID59004116

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

3-O-({1-[(1S)-1-Carboxy-2-(1H-indol-2-yl)éthyl]-1H-1,2,3-triazol-4-yl}méthyl)-α-D-galactopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 3-O-({1-[(1S)-1-carboxy-2-(1H-indol-2-yl)ethyl]-1H-1,2,3-triazol-4-yl}methyl)-α-D-galactopyranoside [ACD/IUPAC Name]
Methyl-3-O-({1-[(1S)-1-carboxy-2-(1H-indol-2-yl)ethyl]-1H-1,2,3-triazol-4-yl}methyl)-α-D-galactopyranosid [German] [ACD/IUPAC Name]
α-D-Galactopyranoside, methyl 3-O-[[1-[(1S)-1-carboxy-2-(1H-indol-2-yl)ethyl]-1H-1,2,3-triazol-4-yl]methyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 795.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 434.6±35.7 °C
Index of Refraction: 1.699
Molar Refractivity: 110.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 66.7±7.0 dyne/cm
Molar Volume: 286.2±7.0 cm3

Click to predict properties on the Chemicalize site


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