ChemSpider 2D Image | Orthosiphol K | C36H42O10

Orthosiphol K

  • Molecular FormulaC36H42O10
  • Average mass634.713 Da
  • Monoisotopic mass634.277771 Da
  • ChemSpider ID8230384

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,2α,3α,7α,11α,13α)-7-Acetoxy-2,3,8-trihydroxy-14-oxopimar-15-en-1,11-diyl-dibenzoat [German] [ACD/IUPAC Name]
(1α,2α,3α,7α,11α,13α)-7-Acetoxy-2,3,8-trihydroxy-14-oxopimar-15-ene-1,11-diyl dibenzoate [ACD/IUPAC Name]
1(2H)-Phenanthrenone, 10-(acetyloxy)-4,5-bis(benzoyloxy)-2-ethenyldodecahydro-6,7,10a-trihydroxy-2,4b,8,8-tetramethyl-, (2R,4R,4aS,4bS,5R,6S,7S,8aS,10R,10aR)- [ACD/Index Name]
Dibenzoate de (1α,2α,3α,7α,11α,13α)-7-acétoxy-2,3,8-trihydroxy-14-oxopimar-15-ène-1,11-diyle [French] [ACD/IUPAC Name]
Orthosiphol K
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL474466/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 216.2±26.4 °C
Index of Refraction: 1.609
Molar Refractivity: 166.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8269.84
ACD/KOC (pH 5.5): 22168.39
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8267.58
ACD/KOC (pH 7.4): 22162.30
Polar Surface Area: 157 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 480.9±5.0 cm3

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