ChemSpider 2D Image | (5R,8R,10aS)-3-Acetyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylic acid | C17H27N3O6

(5R,8R,10aS)-3-Acetyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylic acid

  • Molecular FormulaC17H27N3O6
  • Average mass369.413 Da
  • Monoisotopic mass369.189972 Da
  • ChemSpider ID110416902

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5R,8R,10aS)-3-Acetyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-8-carbonsäure [German] [ACD/IUPAC Name]
(5R,8R,10aS)-3-Acetyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylic acid [ACD/IUPAC Name]
Acide (5R,8R,10aS)-3-acétyl-5-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-6-oxodécahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a][1,5]diazocine-8-carboxylic acid, 3-acetyl-5-[[(1,1-dimethylethoxy)carbonyl]amino]decahydro-6-oxo-, (5R,8R,10aS)- [ACD/Index Name]
(5R,8R,10aS)-3-acetyl-5-(tert-butoxycarbonylamino)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylic acid
2725774-22-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 332.4±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 91.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.40
ACD/LogD (pH 5.5): -1.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 285.0±5.0 cm3

Click to predict properties on the Chemicalize site


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