ChemSpider 2D Image | itriglumide | C33H38N2O4

itriglumide

  • Molecular FormulaC33H38N2O4
  • Average mass526.666 Da
  • Monoisotopic mass526.283142 Da
  • ChemSpider ID5036424

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-5-{[2-(8-Azaspiro[4.5]dec-8-ylcarbonyl)-4,6-dimethylphenyl]amino}-3-(1-naphthyl)-5-oxopentanoic acid [ACD/IUPAC Name]
(3R)-5-{[2-(8-Azaspiro[4.5]dec-8-ylcarbonyl)-4,6-dimethylphenyl]amino}-3-(1-naphthyl)-5-oxopentansäure [German] [ACD/IUPAC Name]
(R)-5-((2,4-Dimethyl-6-(8-azaspiro[4.5]decane-8-carbonyl)phenyl)amino)-3-(naphthalen-1-yl)-5-oxopentanoic acid
1-Naphthalenepropanoic acid, β-[2-[[2-(8-azaspiro[4.5]dec-8-ylcarbonyl)-4,6-dimethylphenyl]amino]-2-oxoethyl]-, (βR)- [ACD/Index Name]
201605-51-8 [RN]
879A12466H
Acide (3R)-5-{[2-(8-azaspiro[4.5]déc-8-ylcarbonyl)-4,6-diméthylphényl]amino}-3-(1-naphtyl)-5-oxopentanoïque [French] [ACD/IUPAC Name]
itriglumida [Spanish] [INN]
itriglumide [INN]
itriglumide [French] [INN]
More...

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

7931 [DBID]
CR-2945 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 782.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 427.3±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 153.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 3563.86
ACD/KOC (pH 5.5): 5817.88
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 56.77
ACD/KOC (pH 7.4): 92.67
Polar Surface Area: 87 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 423.0±5.0 cm3

Click to predict properties on the Chemicalize site


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