ChemSpider 2D Image | 6-[({(4R)-2-[(3',5-Dimethyl-3,5'-bi-1,2-oxazol-4'-yl)carbonyl]-2,8-diazaspiro[4.5]dec-4-yl}carbonyl)amino]hexanoic acid | C24H33N5O6

6-[({(4R)-2-[(3',5-Dimethyl-3,5'-bi-1,2-oxazol-4'-yl)carbonyl]-2,8-diazaspiro[4.5]dec-4-yl}carbonyl)amino]hexanoic acid

  • Molecular FormulaC24H33N5O6
  • Average mass487.549 Da
  • Monoisotopic mass487.243073 Da
  • ChemSpider ID62498477

  • 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-[(3',5-dimethyl[3,5'-biisoxazol]-4'-yl)carbonyl]-, inner salt, (4R)- [ACD/Index Name]
6-[({(4R)-2-[(3',5-Dimethyl-3,5'-bi-1,2-oxazol-4'-yl)carbonyl]-2,8-diazaspiro[4.5]dec-4-yl}carbonyl)amino]hexanoic acid [ACD/IUPAC Name]
6-[({(4R)-2-[(3',5-Dimethyl-3,5'-bi-1,2-oxazol-4'-yl)carbonyl]-2,8-diazaspiro[4.5]dec-4-yl}carbonyl)amino]hexansäure [German] [ACD/IUPAC Name]
6-[({(4R)-2-[(3',5-Dimethyl-3,5'-bi-1,2-oxazol-4'-yl)carbonyl]-2-aza-8-azoniaspiro[4.5]dec-4-yl}carbonyl)amino]hexanoat [German] [ACD/IUPAC Name]
6-[({(4R)-2-[(3',5-Dimethyl-3,5'-bi-1,2-oxazol-4'-yl)carbonyl]-2-aza-8-azoniaspiro[4.5]dec-4-yl}carbonyl)amino]hexanoate [ACD/IUPAC Name]
6-[({(4R)-2-[(3',5-Diméthyl-3,5'-bi-1,2-oxazol-4'-yl)carbonyl]-2-aza-8-azoniaspiro[4.5]déc-4-yl}carbonyl)amino]hexanoate [French] [ACD/IUPAC Name]
Acide 6-[({(4R)-2-[(3',5-diméthyl-3,5'-bi-1,2-oxazol-4'-yl)carbonyl]-2,8-diazaspiro[4.5]déc-4-yl}carbonyl)amino]hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[[(4R)-2-[(3',5-dimethyl[3,5'-biisoxazol]-4'-yl)carbonyl]-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: 1.3±0.1 g/cm3
Boiling Point: 819.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 449.4±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.33
ACD/LogD (pH 5.5): -2.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 364.8±5.0 cm3

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