ChemSpider 2D Image | (1R,3R,18S,19R,20R,21S,22R,23R,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0~1,21~.0~3,24~.0~7,12~]hexacosa-7,9, 11-trien-19-yl benzoate | C43H49NO19

(1R,3R,18S,19R,20R,21S,22R,23R,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7,9, 11-trien-19-yl benzoate

  • Molecular FormulaC43H49NO19
  • Average mass883.844 Da
  • Monoisotopic mass883.289856 Da
  • ChemSpider ID115011393

  • defined stereocentres - 9 of 12 defined stereocentres

More details:

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

(1R,3R,18S,19R,20R,21S,22R,23R,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7,9, 11-trien-19-yl benzoate [ACD/IUPAC Name]
(1R,3R,18S,19R,20R,21S,22R,23R,26R)-20,22,23,25-Tetraacetoxy-21-(acetoxymethyl)-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7,9, 11-trien-19-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (1R,3R,18S,19R,20R,21S,22R,23R,26R)-20,22,23,25-tétraacétoxy-21-(acétoxyméthyl)-15,26-dihydroxy-3,15,26-triméthyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]h exacosa-7,9,11-trién-19-yle [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: 895.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.4±3.0 kJ/mol
Flash Point: 495.4±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 208.8±0.4 cm3
#H bond acceptors: 20
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1311.38
ACD/KOC (pH 5.5): 5928.06
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1315.03
ACD/KOC (pH 7.4): 5944.57
Polar Surface Area: 273 Å2
Polarizability: 82.8±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 612.3±5.0 cm3

Click to predict properties on the Chemicalize site


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