Found 3 results

Search term: WSYMNFBVLKNIMC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5xi,9xi,10alpha,13alpha,15S)-Pimar-8(14)-ene-15,16-diol | C20H34O2

(5ξ,9ξ,10α,13α,15S)-Pimar-8(14)-ene-15,16-diol

  • Molecular FormulaC20H34O2
  • Average mass306.483 Da
  • Monoisotopic mass306.255890 Da
  • ChemSpider ID30650886

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(5ξ,9ξ,10α,13α,15S)-Pimar-8(14)-en-15,16-diol [German] [ACD/IUPAC Name]
(5ξ,9ξ,10α,13α,15S)-Pimar-8(14)-ene-15,16-diol [ACD/IUPAC Name]
(5ξ,9ξ,10α,13α,15S)-Pimar-8(14)-ène-15,16-diol [French] [ACD/IUPAC Name]
1,2-Ethanediol, 1-[(2S,4bR)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-2,4b,8,8-tetramethyl-2-phenanthrenyl]-, (1S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 432.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±6.0 kJ/mol
Flash Point: 190.8±16.4 °C
Index of Refraction: 1.537
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7294.44
ACD/KOC (pH 5.5): 20263.79
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7294.44
ACD/KOC (pH 7.4): 20263.79
Polar Surface Area: 40 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 292.2±5.0 cm3

Click to predict properties on the Chemicalize site


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