ChemSpider 2D Image | 3-{[(3S)-3,4-Dihydroxybutoxy]amino}-1H,2'H-2,3'-biindol-2'-one | C20H19N3O4

3-{[(3S)-3,4-Dihydroxybutoxy]amino}-1H,2'H-2,3'-biindol-2'-one

  • Molecular FormulaC20H19N3O4
  • Average mass365.383 Da
  • Monoisotopic mass365.137543 Da
  • ChemSpider ID25057812

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-Indol-2-one, 3-[3-[[(3S)-3,4-dihydroxybutoxy]amino]-1H-indol-2-yl]- [ACD/Index Name]
3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one
3-{[(3S)-3,4-Dihydroxybutoxy]amino}-1H,2'H-2,3'-biindol-2'-on [German] [ACD/IUPAC Name]
3-{[(3S)-3,4-Dihydroxybutoxy]amino}-1H,2'H-2,3'-biindol-2'-one [ACD/IUPAC Name]
3-{[(3S)-3,4-Dihydroxybutoxy]amino}-1H,2'H-2,3'-biindol-2'-one [French] [ACD/IUPAC Name]
3-(3-{[(3S)-3,4-dihydroxybutoxy]amino}-1H-indol-2-yl)-2H-indol-2-one
3-(3-{[(3S)-3,4-dihydroxybutoxy]amino}-1H-indol-2-yl)indol-2-one
DRK

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

Density: 1.4±0.1 g/cm3
Boiling Point: 719.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 389.1±35.7 °C
Index of Refraction: 1.699
Molar Refractivity: 97.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 3.15
ACD/KOC (pH 5.5): 79.19
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.15
ACD/KOC (pH 7.4): 79.19
Polar Surface Area: 107 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 252.8±7.0 cm3

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