ChemSpider 2D Image | 1L-1-O-(indol-3-yl)acetyl-myo-inositol | C16H19NO7

1L-1-O-(indol-3-yl)acetyl-myo-inositol

  • Molecular FormulaC16H19NO7
  • Average mass337.325 Da
  • Monoisotopic mass337.116150 Da
  • ChemSpider ID19127778

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 1H-indol-3-ylacetate [ACD/IUPAC Name]
(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl-1H-indol-3-ylacetat [German] [ACD/IUPAC Name]
1H-Indol-3-ylacétate de (1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
1H-Indole-3-acetic acid, (1α,2α,3α,4β,5α,6β)-2,3,4,5,6-pentahydroxycyclohexyl ester [ACD/Index Name]
1L-1-O-(indol-3-yl)acetyl-myo-inositol
1H-Indol-3-ylacetyl-myo-inositol
23784-11-4 [RN]
73925-84-5 [RN]
O-(indol-3-yl)acetyl-myo-inositol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 533.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 276.5±30.1 °C
Index of Refraction: 1.717
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.38
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.38
Polar Surface Area: 143 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 97.4±5.0 dyne/cm
Molar Volume: 209.8±5.0 cm3

Click to predict properties on the Chemicalize site


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