ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (1S,2S,5R,6R)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylate | C21H33NO7

Bis(2-methyl-2-propanyl) (1S,2S,5R,6R)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylate

  • Molecular FormulaC21H33NO7
  • Average mass411.489 Da
  • Monoisotopic mass411.225708 Da
  • ChemSpider ID44210166

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,5R,6R)-2-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, bis(1,1-dimethylethyl) ester, (1S,2S,5R,6R)- [ACD/Index Name]
Bis(2-methyl-2-propanyl) (1S,2S,5R,6R)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(1S,2S,5R,6R)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobicyclo[3.1.0]hexan-2,6-dicarboxylat [German] [ACD/IUPAC Name]
(1S,2S,5R,6R)-2-(tert-butoxycarbonylamino)-4-oxo-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid di-tert-butyl ester
(1S,2S,5R,6R)-Di-tert-butyl 2-((tert-butoxycarbonyl)amino)-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylate
635318-04-6 [RN]
Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, 2,6-bis(1,1-dimethylethyl) ester, (1S,2S,5R,6R)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 500.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.7±30.1 °C
Index of Refraction: 1.504
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 128.71
ACD/KOC (pH 5.5): 1126.23
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 125.08
ACD/KOC (pH 7.4): 1094.42
Polar Surface Area: 108 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 353.0±5.0 cm3

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