ChemSpider 2D Image | [(1R)-1,8-Diethyl-6-hydroxy-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid | C17H21NO4

[(1R)-1,8-Diethyl-6-hydroxy-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid

  • Molecular FormulaC17H21NO4
  • Average mass303.353 Da
  • Monoisotopic mass303.147064 Da
  • ChemSpider ID34991635

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1R)-1,8-Diethyl-6-hydroxy-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid [ACD/IUPAC Name]
[(1R)-1,8-Diethyl-6-hydroxy-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]essigsäure [German] [ACD/IUPAC Name]
Acide [(1R)-1,8-diéthyl-6-hydroxy-1,3,4,9-tétrahydropyrano[3,4-b]indol-1-yl]acétique [French] [ACD/IUPAC Name]
Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-6-hydroxy-, (1R)- [ACD/Index Name]
101901-06-8 [RN]
UNII-JCH8N6A1AY

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

RAK-901 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 568.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 297.9±28.7 °C
Index of Refraction: 1.619
Molar Refractivity: 83.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 4.18
ACD/KOC (pH 5.5): 43.23
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 239.2±3.0 cm3

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