ChemSpider 2D Image | (1R,4S,4aS,8aS)-1-(Hydroxymethyl)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1,4-naphthalenediol | C15H26O3

(1R,4S,4aS,8aS)-1-(Hydroxymethyl)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1,4-naphthalenediol

  • Molecular FormulaC15H26O3
  • Average mass254.365 Da
  • Monoisotopic mass254.188202 Da
  • ChemSpider ID22842434
  • defined stereocentres - 4 of 4 defined stereocentres


More details:



Featured data source



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

(1R,4S,4aS,8aS)-1-(Hydroxyméthyl)-2,5,5,8a-tétraméthyl-1,4,4a,5,6,7,8,8a-octahydro-1,4-naphtalènediol [French] [ACD/IUPAC Name]
(1R,4S,4aS,8aS)-1-(Hydroxymethyl)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1,4-naphthalenediol [ACD/IUPAC Name]
(1R,4S,4aS,8aS)-1-(Hydroxymethyl)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1,4-naphthalindiol [German] [ACD/IUPAC Name]
1,4-Naphthalenediol, 1,4,4a,5,6,7,8,8a-octahydro-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-, (1R,4S,4aS,8aS)- [ACD/Index Name]
()-albrassitriol
(–)-albrassitriol
110557-39-6 [RN]
Albrassitriol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 387.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.6±6.0 kJ/mol
Flash Point: 178.3±22.5 °C
Index of Refraction: 1.526
Molar Refractivity: 71.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.53
ACD/KOC (pH 5.5): 518.36
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.53
ACD/KOC (pH 7.4): 518.36
Polar Surface Area: 61 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 233.8±3.0 cm3

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