ChemSpider 2D Image | (1R,3R,18S,19R,20R,21R,22S,23S,24S,26S)-21-(Acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16,25-trioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.0~1,21~.0~3,24~.0~7,12~]hexacosa-7,9,11-triene-19,20,22,23-t etrayl tetraacetate | C36H43NO17

(1R,3R,18S,19R,20R,21R,22S,23S,24S,26S)-21-(Acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16,25-trioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7,9,11-triene-19,20,22,23-t etrayl tetraacetate

  • Molecular FormulaC36H43NO17
  • Average mass761.723 Da
  • Monoisotopic mass761.253113 Da
  • ChemSpider ID59008525

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(1R,3R,18S,19R,20R,21R,22S,23S,24S,26S)-21-(Acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16,25-trioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7,9,11-trien-19,20,22,23-te
 trayl-tetraacetat [German] [ACD/IUPAC Name]
(1R,3R,18S,19R,20R,21R,22S,23S,24S,26S)-21-(Acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16,25-trioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7,9,11-triene-19,20,22,23-t
 etrayl tetraacetate [ACD/IUPAC Name]
Tetraacétate de (1R,3R,18S,19R,20R,21R,22S,23S,24S,26S)-21-(acétoxyméthyl)-26-hydroxy-3,15,26-triméthyl-6,16,25-trioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7,9,11-triè ne-19,20,22,23-tétrayle [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: 808.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 442.9±34.3 °C
Index of Refraction: 1.572
Molar Refractivity: 176.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 660.07
ACD/KOC (pH 5.5): 3617.79
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 667.46
ACD/KOC (pH 7.4): 3658.31
Polar Surface Area: 244 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 535.3±5.0 cm3

Click to predict properties on the Chemicalize site


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