ChemSpider 2D Image | (3S,3'R,4S,5R,5'S,10S,13S,14S,17S)-3-Hydroxy-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propionyl-1,2,3,4,4',5,5',6,7,10,11,12,13,14-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan] -15(16H)-one (non-preferred name) | C29H44O5

(3S,3'R,4S,5R,5'S,10S,13S,14S,17S)-3-Hydroxy-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propionyl-1,2,3,4,4',5,5',6,7,10,11,12,13,14-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan] -15(16H)-one (non-preferred name)

  • Molecular FormulaC29H44O5
  • Average mass472.657 Da
  • Monoisotopic mass472.318878 Da
  • ChemSpider ID57641889

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3S,3'R,4S,5R,5'S,10S,13S,14S,17S)-3-Hydroxy-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propionyl-1,2,3,4,4',5,5',6,7,10,11,12,13,14-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan] -15(16H)-one (non-preferred name) [ACD/IUPAC Name]
57092-34-9 [RN]
Eucosterol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 605.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.3±6.0 kJ/mol
Flash Point: 193.4±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 130.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 361.33
ACD/KOC (pH 5.5): 2358.05
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 361.33
ACD/KOC (pH 7.4): 2358.05
Polar Surface Area: 84 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 401.0±5.0 cm3

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