ChemSpider 2D Image | (1R,5S)-3-[(3,4,5-Trimethoxyphenyl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid | C18H21NO8

(1R,5S)-3-[(3,4,5-Trimethoxyphenyl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

  • Molecular FormulaC18H21NO8
  • Average mass379.361 Da
  • Monoisotopic mass379.126709 Da
  • ChemSpider ID71340179

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-3-[(3,4,5-Trimethoxyphenyl)acetyl]-3-azabicyclo[3.1.0]hexan-1,5-dicarbonsäure [German] [ACD/IUPAC Name]
(1R,5S)-3-[(3,4,5-Trimethoxyphenyl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid, 3-[2-(3,4,5-trimethoxyphenyl)acetyl]-, (1R,5S)- [ACD/Index Name]
Acide (1R,5S)-3-[2-(3,4,5-triméthoxyphényl)acétyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 639.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.3±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.06
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 256.5±3.0 cm3

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