ChemSpider 2D Image | (4aS,9R,15aR)-9-Hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-2-(3,4,5-trimethoxybenzyl)tetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one | C29H48N2O7

(4aS,9R,15aR)-9-Hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-2-(3,4,5-trimethoxybenzyl)tetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one

  • Molecular FormulaC29H48N2O7
  • Average mass536.701 Da
  • Monoisotopic mass536.346130 Da
  • ChemSpider ID68151917

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aS,9R,15aR)-9-Hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-2-(3,4,5-trimethoxybenzyl)tetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-on [German] [ACD/IUPAC Name]
(4aS,9R,15aR)-9-Hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-2-(3,4,5-trimethoxybenzyl)tetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one [ACD/IUPAC Name]
(4aS,9R,15aR)-9-Hydroxy-7-(2-méthoxyéthyl)-10,10-diméthyl-2-(3,4,5-triméthoxybenzyl)tétradécahydropyrido[4,3-i][1,6]oxazacyclotridécin-6(7H)-one [French] [ACD/IUPAC Name]
Pyrido[4,3-i][1,6]oxaazacyclotridecin-6(7H)-one, tetradecahydro-9-hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-, (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: 656.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 351.1±31.5 °C
Index of Refraction: 1.503
Molar Refractivity: 147.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.32
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 42.46
Polar Surface Area: 90 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 498.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement