ChemSpider 2D Image | 4,5-Anhydro-1,2-dideoxy-1-[(1R,2R,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-C-methyl-D-threo-pentitol | C20H36O3

4,5-Anhydro-1,2-dideoxy-1-[(1R,2R,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-C-methyl-D-threo-pentitol

  • Molecular FormulaC20H36O3
  • Average mass324.498 Da
  • Monoisotopic mass324.266449 Da
  • ChemSpider ID62628084

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

4,5-Anhydro-1,2-dideoxy-1-[(1R,2R,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-C-methyl-D-threo-pentitol [ACD/IUPAC Name]
4,5-Anhydro-1,2-didésoxy-1-[(1R,2R,4aR,8aR)-2-hydroxy-2,5,5,8a-tétraméthyldécahydro-1-naphtalényl]-3-C-méthyl-D-thréo-pentitol [French] [ACD/IUPAC Name]
4,5-Anhydro-1,2-didesoxy-1-[(1R,2R,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalinyl]-3-C-methyl-D-threo-pentitol [German] [ACD/IUPAC Name]
D-threo-Pentitol, 4,5-anhydro-1-[(1R,2R,4aR,8aR)-decahydro-2-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]-1,2-dideoxy-3-C-methyl- [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: 424.7±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±6.0 kJ/mol
Flash Point: 210.6±19.0 °C
Index of Refraction: 1.509
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 792.38
ACD/KOC (pH 5.5): 4136.74
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 792.38
ACD/KOC (pH 7.4): 4136.74
Polar Surface Area: 53 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 311.1±3.0 cm3

Click to predict properties on the Chemicalize site


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