ChemSpider 2D Image | Stigmasta-4,25-dien-3-one | C29H46O

Stigmasta-4,25-dien-3-one

  • Molecular FormulaC29H46O
  • Average mass410.675 Da
  • Monoisotopic mass410.354858 Da
  • ChemSpider ID28425531
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(20R)-Stigmasta-4,25-dien-3-on [German] [ACD/IUPAC Name]
(20R)-Stigmasta-4,25-dien-3-one [ACD/IUPAC Name]
(20R)-Stigmasta-4,25-dién-3-one [French] [ACD/IUPAC Name]
848669-08-9 [RN]
Stigmasta-4,25-dien-3-one
Stigmasta-4,25-dien-3-one, (20R)- [ACD/Index Name]
[848669-08-9]
MFCD20274844

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

Density: 1.0±0.1 g/cm3
Boiling Point: 504.7±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 262.8±11.8 °C
Index of Refraction: 1.522
Molar Refractivity: 127.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.94
ACD/LogD (pH 5.5): 8.02
ACD/BCF (pH 5.5): 726199.31
ACD/KOC (pH 5.5): 545649.38
ACD/LogD (pH 7.4): 8.02
ACD/BCF (pH 7.4): 726199.31
ACD/KOC (pH 7.4): 545649.38
Polar Surface Area: 17 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 36.8±5.0 dyne/cm
Molar Volume: 417.8±5.0 cm3

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