ChemSpider 2D Image | 16β,17-Dihydroxy-ent-kauran-19-oic acid | C20H32O4

16β,17-Dihydroxy-ent-kauran-19-oic acid

  • Molecular FormulaC20H32O4
  • Average mass336.466 Da
  • Monoisotopic mass336.230072 Da
  • ChemSpider ID23339120

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5β,8α,9β,10α,16β)-16,17-Dihydroxykauran-18-oic acid [ACD/IUPAC Name]
(5β,8α,9β,10α,16β)-16,17-Dihydroxykauran-18-säure [German] [ACD/IUPAC Name]
16β,17-Dihydroxy-ent-kauran-19-oic acid
3301-61-9 [RN]
Acide (5β,8α,9β,10α,16β)-16,17-dihydroxykauran-18-oïque [French] [ACD/IUPAC Name]
(1S,4S,5R,9S,10R,13S,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
16α,17-dihydroxy-ent-kauran-19-oic acid
16α,17-dihydroxy-ent-kauran-19-oic aicd
ENT-16β,17-DIHYDROXY-19-KAURAIC ACID
ent-16β,17-Dihydroxy-19-kauranoic acid
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 505.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.3±6.0 kJ/mol
Flash Point: 273.6±22.4 °C
Index of Refraction: 1.577
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 34.13
ACD/KOC (pH 5.5): 239.74
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.78
Polar Surface Area: 78 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 274.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement