ChemSpider 2D Image | (2S,2'R,4R,4aS,4a'R,6'S,8aR,8a'R)-1'-(2-Hydroxyethyl)-4a-(hydroxymethyl)-2,2',5',5',7,7,8a'-heptamethylicosahydro-2,2'-binaphthalene-1,4,6'-triol | C30H54O5

(2S,2'R,4R,4aS,4a'R,6'S,8aR,8a'R)-1'-(2-Hydroxyethyl)-4a-(hydroxymethyl)-2,2',5',5',7,7,8a'-heptamethylicosahydro-2,2'-binaphthalene-1,4,6'-triol

  • Molecular FormulaC30H54O5
  • Average mass494.747 Da
  • Monoisotopic mass494.397125 Da
  • ChemSpider ID59005613

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(2S,2'R,4R,4aS,4a'R,6'S,8aR,8a'R)-1'-(2-Hydroxyéthyl)-4a-(hydroxyméthyl)-2,2',5',5',7,7,8a'-heptaméthylicosahydro-2,2'-binaphtalène-1,4,6'-triol [French] [ACD/IUPAC Name]
(2S,2'R,4R,4aS,4a'R,6'S,8aR,8a'R)-1'-(2-Hydroxyethyl)-4a-(hydroxymethyl)-2,2',5',5',7,7,8a'-heptamethylicosahydro-2,2'-binaphthalene-1,4,6'-triol [ACD/IUPAC Name]
(2S,2'R,4R,4aS,4a'R,6'S,8aR,8a'R)-1'-(2-Hydroxyethyl)-4a-(hydroxymethyl)-2,2',5',5',7,7,8a'-heptamethylicosahydro-2,2'-binaphthalin-1,4,6'-triol [German] [ACD/IUPAC Name]
[2,2'-Binaphthalene]-1,4,6'-triol, eicosahydro-1'-(2-hydroxyethyl)-4a-(hydroxymethyl)-2,2',5',5',7,7,8'a-heptamethyl-, (2S,2'R,4R,4aS,4a'R,6'S,8aR,8a'R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 606.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.4±6.0 kJ/mol
Flash Point: 246.1±26.1 °C
Index of Refraction: 1.526
Molar Refractivity: 140.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3081.90
ACD/KOC (pH 5.5): 10936.83
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3081.90
ACD/KOC (pH 7.4): 10936.83
Polar Surface Area: 101 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 458.3±3.0 cm3

Click to predict properties on the Chemicalize site


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