Found 594 results

Search term: MF = 'C_{32}H_{44}N_{2}O_{3}'
ChemSpider 2D Image | (4aS,9R,15aR)-7-Benzyl-2-(2,3-dihydro-1H-inden-2-yl)-9-hydroxy-10,10-dimethyltetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one | C32H44N2O3

(4aS,9R,15aR)-7-Benzyl-2-(2,3-dihydro-1H-inden-2-yl)-9-hydroxy-10,10-dimethyltetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one

  • Molecular FormulaC32H44N2O3
  • Average mass504.703 Da
  • Monoisotopic mass504.335205 Da
  • ChemSpider ID68152009

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aS,9R,15aR)-7-Benzyl-2-(2,3-dihydro-1H-inden-2-yl)-9-hydroxy-10,10-dimethyltetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-on [German] [ACD/IUPAC Name]
(4aS,9R,15aR)-7-Benzyl-2-(2,3-dihydro-1H-inden-2-yl)-9-hydroxy-10,10-dimethyltetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one [ACD/IUPAC Name]
(4aS,9R,15aR)-7-Benzyl-2-(2,3-dihydro-1H-indén-2-yl)-9-hydroxy-10,10-diméthyltétradécahydropyrido[4,3-i][1,6]oxazacyclotridécin-6(7H)-one [French] [ACD/IUPAC Name]
Pyrido[4,3-i][1,6]oxaazacyclotridecin-6(7H)-one, 2-(2,3-dihydro-1H-inden-2-yl)tetradecahydro-9-hydroxy-10,10-dimethyl-7-(phenylmethyl)-, (4aS,9R,15aR)- [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: 683.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.9±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 148.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 8.63
ACD/KOC (pH 5.5): 21.76
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 45.68
ACD/KOC (pH 7.4): 115.13
Polar Surface Area: 53 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 458.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement