ChemSpider 2D Image | (1R,6R,7R,11E)-4-(1-Acetoxyethyl)-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate | C23H33NO10

(1R,6R,7R,11E)-4-(1-Acetoxyethyl)-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate

  • Molecular FormulaC23H33NO10
  • Average mass483.509 Da
  • Monoisotopic mass483.210449 Da
  • ChemSpider ID68023997
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres


More details:






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

(1R,6R,7R,11E)-4-(1-Acetoxyethyl)-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate [ACD/IUPAC Name]
(1R,6R,7R,11E)-4-(1-Acetoxyethyl)-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl-acetat [German] [ACD/IUPAC Name]
2,9-Dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione, 7-(acetyloxy)-4-[1-(acetyloxy)ethyl]-4-hydroxy-6,7,14-trimethyl-, (1R,6R,7R,11E)- [ACD/Index Name]
Acétate de (1R,6R,7R,11E)-4-(1-acétoxyéthyl)-4-hydroxy-6,7,14-triméthyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadéc-11-én-7-yle [French] [ACD/IUPAC Name]
16958-32-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 660.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±6.0 kJ/mol
Flash Point: 353.3±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 117.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.20
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.95
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.52
ACD/KOC (pH 7.4): 99.90
Polar Surface Area: 146 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 376.4±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement