ChemSpider 2D Image | (4aS,9R,15aR)-2-(3,4-Dihydroxybenzyl)-9-hydroxy-7-(2-methoxyethyl)-10,10-dimethyltetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one | C26H42N2O6

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

  • Molecular FormulaC26H42N2O6
  • Average mass478.621 Da
  • Monoisotopic mass478.304291 Da
  • ChemSpider ID68151905

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aS,9R,15aR)-2-(3,4-Dihydroxybenzyl)-9-hydroxy-7-(2-methoxyethyl)-10,10-dimethyltetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-on [German] [ACD/IUPAC Name]
(4aS,9R,15aR)-2-(3,4-Dihydroxybenzyl)-9-hydroxy-7-(2-methoxyethyl)-10,10-dimethyltetradecahydropyrido[4,3-i][1,6]oxazacyclotridecin-6(7H)-one [ACD/IUPAC Name]
(4aS,9R,15aR)-2-(3,4-Dihydroxybenzyl)-9-hydroxy-7-(2-méthoxyéthyl)-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-[(3,4-dihydroxyphenyl)methyl]tetradecahydro-9-hydroxy-7-(2-methoxyethyl)-10,10-dimethyl-, (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: 665.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.0±31.5 °C
Index of Refraction: 1.531
Molar Refractivity: 131.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.07
Polar Surface Area: 103 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 423.3±3.0 cm3

Click to predict properties on the Chemicalize site


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