ChemSpider 2D Image | 1-O-[(2S)-2-(1H-Indol-3-yl)propanoyl]-D-arabinitol | C16H21NO6

1-O-[(2S)-2-(1H-Indol-3-yl)propanoyl]-D-arabinitol

  • Molecular FormulaC16H21NO6
  • Average mass323.341 Da
  • Monoisotopic mass323.136902 Da
  • ChemSpider ID28284563

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

125537-93-1 [RN]
1-O-[(2S)-2-(1H-Indol-3-yl)propanoyl]-D-arabinitol [German] [ACD/IUPAC Name]
1-O-[(2S)-2-(1H-Indol-3-yl)propanoyl]-D-arabinitol [ACD/IUPAC Name]
1-O-[(2S)-2-(1H-Indol-3-yl)propanoyl]-D-arabinitol [French] [ACD/IUPAC Name]
D-Arabinitol, 1-O-[(2S)-2-(1H-indol-3-yl)-1-oxopropyl]- [ACD/Index Name]
Acremoauxin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 621.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 329.8±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 83.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.22
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 36.46
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 36.46
Polar Surface Area: 123 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 229.1±3.0 cm3

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