ChemSpider 2D Image | Phytosterols | C29H50O

Phytosterols

  • Molecular FormulaC29H50O
  • Average mass414.707 Da
  • Monoisotopic mass414.386169 Da
  • ChemSpider ID21112490

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β,14ξ)-Stigmast-5-en-3-ol [ACD/IUPAC Name]
(3β,14ξ)-Stigmast-5-en-3-ol [German] [ACD/IUPAC Name]
(3β,14ξ)-Stigmast-5-én-3-ol [French] [ACD/IUPAC Name]
Phytosterols
Stigmast-5-en-3-ol, (3β,14ξ)- [ACD/Index Name]
68441-03-2 [RN]
MFCD04113501 [MDL number]
Phytosterol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 501.9±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.8±6.0 kJ/mol
Flash Point: 220.4±13.7 °C
Index of Refraction: 1.521
Molar Refractivity: 129.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 10.73
ACD/LogD (pH 5.5): 9.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2999615.25
ACD/LogD (pH 7.4): 9.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2999615.25
Polar Surface Area: 20 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 37.6±5.0 dyne/cm
Molar Volume: 424.3±5.0 cm3

Click to predict properties on the Chemicalize site


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