ChemSpider 2D Image | Arterolane | C22H36N2O4

Arterolane

  • Molecular FormulaC22H36N2O4
  • Average mass392.532 Da
  • Monoisotopic mass392.267517 Da
  • ChemSpider ID25069705
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

Arterolane [INN] [Wiki]
artérolane [French] [INN]
arterolano [Spanish] [INN]
arterolanum [Latin] [INN]
Dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.13,7]decane]-4-acetamide, N-(2-amino-2-methylpropyl)- [ACD/Index Name]
N-(2-Amino-2-methylpropyl)-2-[(1s,1''R,3''S,4s,5'r,5''r,7''r)-dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.13,7]decan]-4-yl]acetamide [ACD/IUPAC Name]
OZ277
664338-39-0 [RN]
N-(2-amino-2-methylpropyl)-2-[(1S,3S,4's,4''s,5S,7R)-dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-4''-yl]acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 572.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 299.8±28.7 °C
Index of Refraction: 1.564
Molar Refractivity: 106.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 1.46
ACD/KOC (pH 7.4): 18.46
Polar Surface Area: 83 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 326.5±5.0 cm3

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