ChemSpider 2D Image | 7-(β-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indole-3-acetic acid | C16H19NO9

7-(β-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indole-3-acetic acid

  • Molecular FormulaC16H19NO9
  • Average mass369.323 Da
  • Monoisotopic mass369.105988 Da
  • ChemSpider ID76962938

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

[7-(β-D-Glucopyranosyloxy)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetic acid [ACD/IUPAC Name]
[7-(β-D-Glucopyranosyloxy)-2-oxo-2,3-dihydro-1H-indol-3-yl]essigsäure [German] [ACD/IUPAC Name]
1H-Indole-3-acetic acid, 7-(β-D-glucopyranosyloxy)-2,3-dihydro-2-oxo- [ACD/Index Name]
7-(β-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indole-3-acetic acid
95061-84-0 [RN]
Acide [7-(β-D-glucopyranosyloxy)-2-oxo-2,3-dihydro-1H-indol-3-yl]acétique [French] [ACD/IUPAC Name]
7-(β-D-glucosyloxy)-2-oxindole-3-acetic acid
7-hydroxy-2-oxindole-3-acetic acid glucoside
7-hydroxy-2-oxindole-3-acetic acid β-glucoside

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

Density: 1.6±0.1 g/cm3
Boiling Point: 732.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 397.0±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 83.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.21
ACD/LogD (pH 5.5): -3.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 82.4±3.0 dyne/cm
Molar Volume: 230.3±3.0 cm3

Click to predict properties on the Chemicalize site


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