ChemSpider 2D Image | (6S)-13-(2-Hydroxyethyl)-24-methoxy-6,8-dimethyl-2-oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,7,18-trione | C25H40N4O6

(6S)-13-(2-Hydroxyethyl)-24-methoxy-6,8-dimethyl-2-oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,7,18-trione

  • Molecular FormulaC25H40N4O6
  • Average mass492.608 Da
  • Monoisotopic mass492.294800 Da
  • ChemSpider ID62730884

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-13-(2-Hydroxyethyl)-24-methoxy-6,8-dimethyl-2-oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-trien-4,7,18-trion [German] [ACD/IUPAC Name]
(6S)-13-(2-Hydroxyethyl)-24-methoxy-6,8-dimethyl-2-oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,7,18-trione [ACD/IUPAC Name]
(6S)-13-(2-Hydroxyéthyl)-24-méthoxy-6,8-diméthyl-2-oxa-5,8,13,17-tétraazabicyclo[19.3.1]pentacosa-1(25),21,23-triène-4,7,18-trione [French] [ACD/IUPAC Name]
2-Oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,7,18-trione, 13-(2-hydroxyethyl)-24-methoxy-6,8-dimethyl-, (6S)- [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: 788.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 430.8±32.9 °C
Index of Refraction: 1.490
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -2.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.76
Polar Surface Area: 120 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 456.1±3.0 cm3

Click to predict properties on the Chemicalize site


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