ChemSpider 2D Image | (4aS,9R,15aR)-7-Benzyl-9-hydroxy-10,10-dimethyl-2-(3,4,5-trimethoxybenzyl)tetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one | C33H48N2O6

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

  • Molecular FormulaC33H48N2O6
  • Average mass568.744 Da
  • Monoisotopic mass568.351257 Da
  • ChemSpider ID68152007

  • 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-9-hydroxy-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)-7-Benzyl-9-hydroxy-10,10-dimethyl-2-(3,4,5-trimethoxybenzyl)tetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one [ACD/IUPAC Name]
(4aS,9R,15aR)-7-Benzyl-9-hydroxy-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-10,10-dimethyl-7-(phenylmethyl)-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: 705.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 380.6±32.9 °C
Index of Refraction: 1.535
Molar Refractivity: 160.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 9.28
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 81.63
ACD/KOC (pH 7.4): 399.34
Polar Surface Area: 81 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 516.3±3.0 cm3

Click to predict properties on the Chemicalize site


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