ChemSpider 2D Image | (1S,14R,15S,16R,17R)-5-Chloro-4-(4-ethoxybenzyl)-8,12,18-trioxatricyclo[12.3.1.0~2,7~]octadeca-2,4,6-triene-15,16,17-triol | C24H29ClO7

(1S,14R,15S,16R,17R)-5-Chloro-4-(4-ethoxybenzyl)-8,12,18-trioxatricyclo[12.3.1.02,7]octadeca-2,4,6-triene-15,16,17-triol

  • Molecular FormulaC24H29ClO7
  • Average mass464.936 Da
  • Monoisotopic mass464.160187 Da
  • ChemSpider ID26609842

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,14R,15S,16R,17R)-5-Chlor-4-(4-ethoxybenzyl)-8,12,18-trioxatricyclo[12.3.1.02,7]octadeca-2,4,6-trien-15,16,17-triol [German] [ACD/IUPAC Name]
(1S,14R,15S,16R,17R)-5-Chloro-4-(4-ethoxybenzyl)-8,12,18-trioxatricyclo[12.3.1.02,7]octadeca-2,4,6-triene-15,16,17-triol [ACD/IUPAC Name]
(1S,14R,15S,16R,17R)-5-Chloro-4-(4-éthoxybenzyl)-8,12,18-trioxatricyclo[12.3.1.02,7]octadéca-2,4,6-triène-15,16,17-triol [French] [ACD/IUPAC Name]
7,11-Epoxy-2H-1,5-benzodioxacyclotridecin-8,9,10-triol, 14-chloro-13-[(4-ethoxyphenyl)methyl]-3,4,6,7,8,9,10,11-octahydro-, (7R,8S,9R,10R,11S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.0±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 119.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 567.71
ACD/KOC (pH 5.5): 3258.41
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 567.71
ACD/KOC (pH 7.4): 3258.39
Polar Surface Area: 98 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 355.1±3.0 cm3

Click to predict properties on the Chemicalize site


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