ChemSpider 2D Image | (1R,3R,6R,7S,9S,10R,11R,13R,15S,16R,17S,24S,28R,29S)-3,24-Dihydroxy-6,9,11,13,15-pentamethyl-4,5,8,18-tetraoxa-25-azaoctacyclo[15.9.3.2~19,22~.1~1,24~.0~6,28~.0~7,9~.0~10,29~.0~11,16~]dotriaconta-19,2 1,31-triene-26,27-dione | C32H41NO8

(1R,3R,6R,7S,9S,10R,11R,13R,15S,16R,17S,24S,28R,29S)-3,24-Dihydroxy-6,9,11,13,15-pentamethyl-4,5,8,18-tetraoxa-25-azaoctacyclo[15.9.3.219,22.11,24.06,28.07,9.010,29.011,16]dotriaconta-19,2 1,31-triene-26,27-dione

  • Molecular FormulaC32H41NO8
  • Average mass567.670 Da
  • Monoisotopic mass567.283203 Da
  • ChemSpider ID129240154

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1R,3R,6R,7S,9S,10R,11R,13R,15S,16R,17S,24S,28R,29S)-3,24-Dihydroxy-6,9,11,13,15-pentamethyl-4,5,8,18-tetraoxa-25-azaoctacyclo[15.9.3.219,22.11,24.06,28.07,9.010,29.011,16]dotriaconta-19,2
 1,31-trien-26,27-dion [German] [ACD/IUPAC Name]
(1R,3R,6R,7S,9S,10R,11R,13R,15S,16R,17S,24S,28R,29S)-3,24-Dihydroxy-6,9,11,13,15-pentamethyl-4,5,8,18-tetraoxa-25-azaoctacyclo[15.9.3.219,22.11,24.06,28.07,9.010,29.011,16]dotriaconta-19,2
 1,31-triene-26,27-dione [ACD/IUPAC Name]
(1R,3R,6R,7S,9S,10R,11R,13R,15S,16R,17S,24S,28R,29S)-3,24-Dihydroxy-6,9,11,13,15-pentaméthyl-4,5,8,18-tétraoxa-25-azaoctacyclo[15.9.3.219,22.11,24.06,28.07,9.010,29.011,16]dotriaconta-19,2
 1,31-triène-26,27-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 745.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 404.5±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.25
ACD/KOC (pH 5.5): 1117.20
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 127.25
ACD/KOC (pH 7.4): 1117.15
Polar Surface Area: 127 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 408.3±5.0 cm3

Click to predict properties on the Chemicalize site


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