ChemSpider 2D Image | 6-({[(4S)-2-(2,6-Dichlorobenzoyl)-2,8-diazaspiro[4.5]dec-4-yl]carbonyl}amino)hexanoic acid | C22H29Cl2N3O4

6-({[(4S)-2-(2,6-Dichlorobenzoyl)-2,8-diazaspiro[4.5]dec-4-yl]carbonyl}amino)hexanoic acid

  • Molecular FormulaC22H29Cl2N3O4
  • Average mass470.389 Da
  • Monoisotopic mass469.153503 Da
  • ChemSpider ID62437424

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Aza-8-azoniaspiro[4.5]decane, 4-[[(5-carboxypentyl)amino]carbonyl]-2-(2,6-dichlorobenzoyl)-, inner salt, (4S)- [ACD/Index Name]
6-({[(4S)-2-(2,6-Dichlorbenzoyl)-2,8-diazaspiro[4.5]dec-4-yl]carbonyl}amino)hexansäure [German] [ACD/IUPAC Name]
6-({[(4S)-2-(2,6-Dichlorbenzoyl)-2-aza-8-azoniaspiro[4.5]dec-4-yl]carbonyl}amino)hexanoat [German] [ACD/IUPAC Name]
6-({[(4S)-2-(2,6-Dichlorobenzoyl)-2,8-diazaspiro[4.5]dec-4-yl]carbonyl}amino)hexanoic acid [ACD/IUPAC Name]
6-({[(4S)-2-(2,6-Dichlorobenzoyl)-2-aza-8-azoniaspiro[4.5]dec-4-yl]carbonyl}amino)hexanoate [ACD/IUPAC Name]
6-({[(4S)-2-(2,6-Dichlorobenzoyl)-2-aza-8-azoniaspiro[4.5]déc-4-yl]carbonyl}amino)hexanoate [French] [ACD/IUPAC Name]
Acide 6-({[(4S)-2-(2,6-dichlorobenzoyl)-2,8-diazaspiro[4.5]déc-4-yl]carbonyl}amino)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[[(4S)-2-(2,6-dichlorobenzoyl)-2,8-diazaspiro[4.5]dec-4-yl]carbonyl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 401.6±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 119.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.25
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.52
Polar Surface Area: 99 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 346.3±5.0 cm3

Click to predict properties on the Chemicalize site


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