Found 15 results

Search term: CHGIKSSZNBCNDW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3beta,5alpha)-4,4-Bis[(~2~H_3_)methyl]cholesta-8,24-dien-3-ol | C29H42D6O

(3β,5α)-4,4-Bis[(2H3)methyl]cholesta-8,24-dien-3-ol

  • Molecular FormulaC29H42D6O
  • Average mass418.728 Da
  • Monoisotopic mass418.408173 Da
  • ChemSpider ID57618013

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β,5α)-4,4-Bis[(2H3)methyl]cholesta-8,24-dien-3-ol [German] [ACD/IUPAC Name]
(3β,5α)-4,4-Bis[(2H3)methyl]cholesta-8,24-dien-3-ol [ACD/IUPAC Name]
(3β,5α)-4,4-Bis[(2H3)méthyl]cholesta-8,24-dién-3-ol [French] [ACD/IUPAC Name]
Cholesta-8,24-dien-3-ol, 4,4-di(methyl-d3)-, (3β,5α)- [ACD/Index Name]
(3?,?5?)?-4,?4-?di(methyl-?d3)?-?Cholesta-?8,?24-?dien-?3-?ol
1246298-30-5 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 495.1±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.8±6.0 kJ/mol
Flash Point: 217.6±20.7 °C
Index of Refraction: 1.531
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 10.52
ACD/LogD (pH 5.5): 9.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3033583.75
ACD/LogD (pH 7.4): 9.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3033583.75
Polar Surface Area: 20 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 38.1±5.0 dyne/cm
Molar Volume: 415.9±5.0 cm3

Click to predict properties on the Chemicalize site


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