ChemSpider 2D Image | (3alpha)-(2,2,3,4,4-~2~H_5_)Solanid-5-en-3-ol | C27H38D5NO

(3α)-(2,2,3,4,4-2H5)Solanid-5-en-3-ol

  • Molecular FormulaC27H38D5NO
  • Average mass402.667 Da
  • Monoisotopic mass402.365845 Da
  • ChemSpider ID128918950
  • defined stereocentres - 11 of 11 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3α)-(2,2,3,4,4-2H5)Solanid-5-en-3-ol [German] [ACD/IUPAC Name]
(3α)-(2,2,3,4,4-2H5)Solanid-5-en-3-ol [ACD/IUPAC Name]
(3α)-(2,2,3,4,4-2H5)Solanid-5-én-3-ol [French] [ACD/IUPAC Name]
Solanid-5-en-2,2,3,4,4-d5-3-ol, (3α)- [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: 503.1±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 223.5±26.8 °C
Index of Refraction: 1.577
Molar Refractivity: 119.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 70.50
ACD/KOC (pH 5.5): 96.29
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 76.08
ACD/KOC (pH 7.4): 103.92
Polar Surface Area: 23 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 361.4±5.0 cm3

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