ChemSpider 2D Image | (1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadec-10-yl 4-[(2,2-dimethoxyethyl)amino]-4-oxobutanoate | C23H37NO9

(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl 4-[(2,2-dimethoxyethyl)amino]-4-oxobutanoate

  • Molecular FormulaC23H37NO9
  • Average mass471.541 Da
  • Monoisotopic mass471.246826 Da
  • ChemSpider ID68414093

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl 4-[(2,2-dimethoxyethyl)amino]-4-oxobutanoate [ACD/IUPAC Name]
(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl-4-[(2,2-dimethoxyethyl)amino]-4-oxobutanoat [German] [ACD/IUPAC Name]
4-[(2,2-Diméthoxyéthyl)amino]-4-oxobutanoate de (1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadéc-10-yle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(2,2-dimethoxyethyl)amino]-4-oxo-, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 595.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.6±30.1 °C
Index of Refraction: 1.525
Molar Refractivity: 116.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.46
ACD/KOC (pH 5.5): 739.21
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.46
ACD/KOC (pH 7.4): 739.21
Polar Surface Area: 111 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 379.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement