ChemSpider 2D Image | (3R)-3-[3-(2-Hydroxyethyl)-1H-indol-2-yl]-3-(1H-indol-3-yl)-1,2-propanediol | C21H22N2O3

(3R)-3-[3-(2-Hydroxyethyl)-1H-indol-2-yl]-3-(1H-indol-3-yl)-1,2-propanediol

  • Molecular FormulaC21H22N2O3
  • Average mass350.411 Da
  • Monoisotopic mass350.163055 Da
  • ChemSpider ID63002549

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3R)-3-[3-(2-Hydroxyethyl)-1H-indol-2-yl]-3-(1H-indol-3-yl)-1,2-propandiol [German] [ACD/IUPAC Name]
(3R)-3-[3-(2-Hydroxyethyl)-1H-indol-2-yl]-3-(1H-indol-3-yl)-1,2-propanediol [ACD/IUPAC Name]
(3R)-3-[3-(2-Hydroxyéthyl)-1H-indol-2-yl]-3-(1H-indol-3-yl)-1,2-propanediol [French] [ACD/IUPAC Name]
1H-Indole-2,3-diethanol, α2-(hydroxymethyl)-β2-1H-indol-3-yl-, (β2R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 702.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.5±31.5 °C
Index of Refraction: 1.753
Molar Refractivity: 103.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.70
ACD/KOC (pH 5.5): 261.17
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.70
ACD/KOC (pH 7.4): 261.17
Polar Surface Area: 92 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 76.0±3.0 dyne/cm
Molar Volume: 253.2±3.0 cm3

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