ChemSpider 2D Image | Kirenol | C20H34O4

Kirenol

  • Molecular FormulaC20H34O4
  • Average mass338.482 Da
  • Monoisotopic mass338.245697 Da
  • ChemSpider ID24534048
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(2β,5β,9β,10α,13α,15R)-Pimar-8(14)-en-2,15,16,18-tetrol [German] [ACD/IUPAC Name]
(2β,5β,9β,10α,13α,15R)-Pimar-8(14)-ene-2,15,16,18-tetrol [ACD/IUPAC Name]
(2β,5β,9β,10α,13α,15R)-Pimar-8(14)-ène-2,15,16,18-tétrol [French] [ACD/IUPAC Name]
1,7-Phenanthrenedimethanol, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-3-hydroxy-α7-(hydroxymethyl)-1,4a,7-trimethyl-, (α7R,1R,3S,4aS,4bR,7S,10aS)- [ACD/Index Name]
52659-56-0 [RN]
Kirenol
(1R)-1-[(2S,4aR,4bS,6S,8R,8aS)-6-Hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-
(1R)-1-[(2S,4aR,4bS,6S,8R,8aS)-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
(2b,5b,9b,10a,13a,15R)-Pimar-8(14)-ene-2,15,16,18-tetrol
(R)-1-((2S,4aR,4bS,6S,8R,8aS)-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl)ethane-1,2-diol
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 516.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.8±6.0 kJ/mol
Flash Point: 233.6±20.5 °C
Index of Refraction: 1.570
Molar Refractivity: 94.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 44.01
ACD/KOC (pH 5.5): 522.46
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 44.01
ACD/KOC (pH 7.4): 522.46
Polar Surface Area: 81 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 287.6±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement