ChemSpider 2D Image | Arterolane | C22H36N2O4

Arterolane

  • Molecular FormulaC22H36N2O4
  • Average mass392.532 Da
  • Monoisotopic mass392.267517 Da
  • ChemSpider ID57261244

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

664338-39-0 [RN]
Arterolane [INN] [Wiki]
Dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.13,7]decane]-4-ethanimidic acid, N-(2-amino-2-methylpropyl)-, (1''S,5''S)- [ACD/Index Name]
N-(2-Amino-2-methylpropyl)-2-[(1s,1''S,4s,5''S)-dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.13,7]decan]-4-yl]ethanimidic acid [ACD/IUPAC Name]
MFCD18251543
MFCD31556999
N-(2-AMINO-2-METHYLPROPYL)-2-((1R,3R,4''S,5R,5'S,7R)-DISPIRO[ADAMANTANE-2,3'-[1,2,4]TRIOXOLANE-5',1''-CYCLOHEXAN]-4''-YL)ACETAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 539.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.9±6.0 kJ/mol
Flash Point: 279.8±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 102.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.22
Polar Surface Area: 86 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 276.6±7.0 cm3

Click to predict properties on the Chemicalize site


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