ChemSpider 2D Image | (9S,12R)-3-(4-Ethoxybenzyl)-9-isobutyl-12-methyl-14-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione | C29H47N3O4

(9S,12R)-3-(4-Ethoxybenzyl)-9-isobutyl-12-methyl-14-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione

  • Molecular FormulaC29H47N3O4
  • Average mass501.701 Da
  • Monoisotopic mass501.356659 Da
  • ChemSpider ID80825596

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9S,12R)-3-(4-Ethoxybenzyl)-9-isobutyl-12-methyl-14-oxa-3,8,11-triazaspiro[5.13]nonadecan-7,10-dion [German] [ACD/IUPAC Name]
(9S,12R)-3-(4-Ethoxybenzyl)-9-isobutyl-12-methyl-14-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione [ACD/IUPAC Name]
(9S,12R)-3-(4-Éthoxybenzyl)-9-isobutyl-12-méthyl-14-oxa-3,8,11-triazaspiro[5.13]nonadécane-7,10-dione [French] [ACD/IUPAC Name]
14-Oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione, 3-[(4-ethoxyphenyl)methyl]-12-methyl-9-(2-methylpropyl)-, (9S,12R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 699.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.9±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 144.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.05
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 19.06
ACD/KOC (pH 7.4): 107.93
Polar Surface Area: 80 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 456.1±5.0 cm3

Click to predict properties on the Chemicalize site


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