ChemSpider 2D Image | (5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl N-isobutyryl-D-alaninate | C33H46N2O7

(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl N-isobutyryl-D-alaninate

  • Molecular FormulaC33H46N2O7
  • Average mass582.727 Da
  • Monoisotopic mass582.330505 Da
  • ChemSpider ID44210862

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl N-isobutyryl-D-alaninate [ACD/IUPAC Name]
(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-Dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl-N-isobutyryl-D-alaninat [German] [ACD/IUPAC Name]
D-Alanine, N-(2-methyl-1-oxopropyl)-, (5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl ester [ACD/Index Name]
N-Isobutyryl-D-alaninate de (5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-méthoxy-14,16-diméthyl-3-oxo-2-azabicyclo[18.3.1]tétracosa-1(24),6,8,10,16,20,22-heptaén-13-yle [French] [ACD/IUPAC 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: 780.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 425.7±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 163.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1030.25
ACD/KOC (pH 5.5): 4991.79
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1024.73
ACD/KOC (pH 7.4): 4965.02
Polar Surface Area: 134 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 498.2±5.0 cm3

Click to predict properties on the Chemicalize site


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